Jasmolone
PubChem CID: 5374699
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| Compound Synonyms | Jasmolone, Jasmololone, Jasmololon, 22054-39-3, H2NCU4J9V3, SCHEMBL10629049, CHEBI:180842, SVRKACAGHUZSGU-SNAWJCMRSA-N, DTXSID501018176, 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one, HY-N11583, 93221-50-2, 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-pentenyl)-, 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-penten-1-yl)-, 4-Hydroxy-3-methyl-2-(2-penten-1-yl)-2-cyclopenten-1-one, 4-Hydroxy-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one, 9CI, 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-pentenyl)-, (E)-, 4-Hydroxy-3-methyl-2-[(2E)-2-pentenyl]-2-cyclopenten-1-one #, 4-hydroxy-3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Is Pains | False |
| Molecular Formula | C11H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SVRKACAGHUZSGU-SNAWJCMRSA-N |
| Fcsp3 | 0.5454545454545454 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Jasmolone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.115 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 180.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 180.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4462313999999998 |
| Inchi | InChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4+ |
| Smiles | CC/C=C/CC1=C(C(CC1=O)O)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients