4-Isopropyl-2-cyclohexenone
PubChem CID: 92780
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| Compound Synonyms | 4-Isopropyl-2-cyclohexenone, Crypton, 500-02-7, Cryptone, 2-Cyclohexen-1-one, 4-(1-methylethyl)-, 4-(1-Methylethyl)-2-cyclohexen-1-one, 4-Isopropylcyclohex-2-en-1-one, 4-propan-2-ylcyclohex-2-en-1-one, CRYPTONE,L-, 2-Cyclohexen-1-one, 4-isopropyl-, (+/-)-CRYPTONE, 4-iso-Propyl-2-cyclohexenone, 4-(propan-2-yl)cyclohex-2-en-1-one, 4-Isopropyl-2-cyclohexen-1-one, 0U8E4W4GBB, 4-Isopropylcyclohex-2-enone, (R)-Cryptone, NSC 22060, DL-KRYPTONE, EINECS 207-898-5, NSC-22060, FEMA NO. 3939, DTXSID10862055, (R)-4-Isopropylcyclohex-2-enone, 4-ISOPROPYL-2-CYCLOHEXENONE [FHFI], UNII-0U8E4W4GBB, Kryptone, Cryptone, L-, 4-(1-Methylethyl)-2-cyclohexen-1-one, 4-Isopropyl-2-cyclohexen-1-one, 4-Isopropyl-2-cyclohexenone, Crypton, DL-Kryptone, NSC 22060, SCHEMBL440040, DTXCID90218410, CHEBI:229380, NSC22060, AT12689, SB46107, DB-323851, NS00043035, EN300-203205, Q21099100 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Present in many plants including Angelica root, black pepper, lavender and cardamom. (R)-Cryptone is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-propan-2-ylcyclohex-2-en-1-one |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 2.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Molecular Formula | C9H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AANMVENRNJYEMK-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.571 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.658 |
| Synonyms | (R)-(-)-Cryptone, 2-(4-amino-3-chlorophenyl)benzothiazole, 4-(1,3-benzothiazol-2-yl)-2-chloroaniline, 4-Isopropyl-2-cyclohexen-1-one, Benzenamine, 2-chloro-4-(benzothiazol-2-yl)-, 2-Cyclohexen-1-one, 4-(1-methylethyl)-, 2-Cyclohexen-1-one, 4-isopropyl-, 4-(1-Methylethyl)-2-cyclohexen-1-one, 4-iso-Propyl-2-cyclohexenone, 4-Isopropyl-2-cyclohexenone, 4-Isopropylcyclohex-2-en-1-one, Crypton, Cryptone,l- |
| Compound Name | 4-Isopropyl-2-cyclohexenone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -1.9035019999999998 |
| Inchi | InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3 |
| Smiles | CC(C)C1CCC(=O)C=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cyclohexenones |
- 1. Outgoing r'ship
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FOUND_INto/from Arisarum Vulgare (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Berberis Fortunei (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Canarium Vulgare (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Chloranthus Fortunei (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Clinopodium Vulgare (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Costus Afer (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Costus Arabicus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Costus Speciosus (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Cryptomeria Japonica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Cynoglossum Officinale (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Cyrtomium Fortunei (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Daucus Sativus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Drynaria Fortunei (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Echium Vulgare (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Empetrum Nigrum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Euonymus Fortunei (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Eupatorium Fortunei (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Euphrasia Officinale (Plant) Rel Props:Reference: - 23. Outgoing r'ship
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FOUND_INto/from Piper Nepalens (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 79. Outgoing r'ship
FOUND_INto/from Piper Officinarum (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Piper Pedicellatum (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Piper Pedicellosum (Plant) Rel Props:Reference: - 82. Outgoing r'ship
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FOUND_INto/from Piper Regnellii (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Piper Sanctum (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Piper Schmidtii (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Piper Spp (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Piper Sylvaticum (Plant) Rel Props:Reference: - 92. Outgoing r'ship
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FOUND_INto/from Piper Taiwanense (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Piper Thomsonii (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Piper Trichostachyon (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Piper Trioicum (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Piper Tuberculatum (Plant) Rel Props:Reference: - 98. Outgoing r'ship
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FOUND_INto/from Polypodium Vulgare (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Saussurea Albescens (Plant) Rel Props:Reference: - 105. Outgoing r'ship
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FOUND_INto/from Saussurea Bracteata (Plant) Rel Props:Reference: - 107. Outgoing r'ship
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FOUND_INto/from Saussurea Cordifolia (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 110. Outgoing r'ship
FOUND_INto/from Saussurea Glaciales (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Saussurea Gossypiphora (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Saussurea Involucrata (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Saussurea Jacea (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Saussurea Japonica (Plant) Rel Props:Reference: - 115. Outgoing r'ship
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FOUND_INto/from Saussurea Lappa (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Saussurea Medusa (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Saussurea Mimborum (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Saussurea Neopulchella (Plant) Rel Props:Reference: - 121. Outgoing r'ship
FOUND_INto/from Saussurea Obvallata (Plant) Rel Props:Reference: - 122. Outgoing r'ship
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FOUND_INto/from Saussurea Simpsoniana (Plant) Rel Props:Reference: - 127. Outgoing r'ship
FOUND_INto/from Saussurea Stella (Plant) Rel Props:Reference: - 128. Outgoing r'ship
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FOUND_INto/from Saussurea Taraxifolia (Plant) Rel Props:Reference: - 130. Outgoing r'ship
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FOUND_INto/from Silene Fortunei (Plant) Rel Props:Reference: - 133. Outgoing r'ship
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FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Reference: - 135. Outgoing r'ship
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FOUND_INto/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference: - 145. Outgoing r'ship
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FOUND_INto/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference: - 147. Outgoing r'ship
FOUND_INto/from Zanthoxylum Americanum (Plant) Rel Props:Reference: - 148. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference: - 149. Outgoing r'ship
FOUND_INto/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference: - 150. Outgoing r'ship
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FOUND_INto/from Zanthoxylum Belizense (Plant) Rel Props:Reference: - 152. Outgoing r'ship
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FOUND_INto/from Zanthoxylum Budrunga (Plant) Rel Props:Reference: - 154. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 155. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference: - 157. Outgoing r'ship
FOUND_INto/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference: - 158. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference: - 160. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dissitum (Plant) Rel Props:Reference: - 161. Outgoing r'ship
FOUND_INto/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference: - 163. Outgoing r'ship
FOUND_INto/from Zanthoxylum Fagara (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Zanthoxylum Flavum (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference: - 166. Outgoing r'ship
FOUND_INto/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference: - 167. Outgoing r'ship
FOUND_INto/from Zanthoxylum Hostile (Plant) Rel Props:Reference: - 168. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference: - 169. Outgoing r'ship
FOUND_INto/from Zanthoxylum Limonella (Plant) Rel Props:Reference: - 170. Outgoing r'ship
FOUND_INto/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference: - 171. Outgoing r'ship
FOUND_INto/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference: - 172. Outgoing r'ship
FOUND_INto/from Zanthoxylum Nitidum (Plant) Rel Props:Reference: - 173. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference: - 174. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference: - 175. Outgoing r'ship
FOUND_INto/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference: - 176. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 177. Outgoing r'ship
FOUND_INto/from Zanthoxylum Planispinum (Plant) Rel Props:Reference: - 178. Outgoing r'ship
FOUND_INto/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference: - 179. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference: - 180. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rubescens (Plant) Rel Props:Reference: - 181. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 182. Outgoing r'ship
FOUND_INto/from Zanthoxylum Simulans (Plant) Rel Props:Reference: - 183. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Reference: - 184. Outgoing r'ship
FOUND_INto/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference: - 185. Outgoing r'ship
FOUND_INto/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference: - 188. Outgoing r'ship
FOUND_INto/from Zanthoxylum Veneficium (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Reference: - 190. Outgoing r'ship
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FOUND_INto/from Zingiber Chrysanthum (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Zingiber Montanum (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 196. Outgoing r'ship
FOUND_INto/from Zingiber Purpureum (Plant) Rel Props:Reference: - 197. Outgoing r'ship
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