1-Acetyl-4-isopropenylcyclopentene
PubChem CID: 12634575
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| Compound Synonyms | 1-acetyl-4-isopropenylcyclopentene, 1-acetyl-4-isopropenyl-cyclopentene, 1-(4-(prop-1-en-2-yl)cyclopent-1-enyl)ethanone, SCHEMBL6359659, BTXSVMBTNJSALB-UHFFFAOYSA-N, CHEBI:195901, l-acetyl-4-isopropenylcyclopentene, DTXSID301228262, 1-Acetyl-4-isopropenyl-1-cyclopentene, LMPR0102080001, 2704-76-9, 4-Isopropenyl-1-cyclopenten-1-yl methyl ketone, 1-(4-prop-1-en-2-ylcyclopenten-1-yl)ethanone, 1-[4-(1-Methylethenyl)-1-cyclopenten-1-yl]ethanone, 1-[4-(1-Methylethenyl)-1-cyclopenten-1-yl]ethanone, 9CI |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CC=C)CCC=CC5)C=O)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Isolated from oil of Eucalyptus globulus (Tasmanian blue gum) |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-prop-1-en-2-ylcyclopenten-1-yl)ethanone |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | BTXSVMBTNJSALB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-[4-(1-Methylethenyl)-1-cyclopenten-1-yl]ethanone, 9CI, 4-Isopropenyl-1-cyclopenten-1-yl methyl ketone, 1-[4-(1-Methylethenyl)-1-cyclopenten-1-yl]ethanone, 9ci, 1-acethyl-4-isopropenyl-1-cyclopentene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC=C(C)C(C)=O |
| Compound Name | 1-Acetyl-4-isopropenylcyclopentene |
| Kingdom | Organic compounds |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3 |
| Smiles | CC(=C)C1CC=C(C1)C(=O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Monocyclic monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563