1-(2-Methylenecyclopropyl)cyclopentanol
PubChem CID: 572961
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| Compound Synonyms | 1-(2-Methylenecyclopropyl)cyclopentanol, YIJFUFFHKLPQEG-UHFFFAOYSA-N, Cyclopentanol, 1-(methylenecyclopropyl)-, 1-(2-Methylenecyclopropyl)cyclopentanol #, 1-(2-methylene-cyclopropyl)-cyclopentan-1-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC1C1CCCC1 |
| Deep Smiles | C=CCC3CO)CCCC5 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | CC1CC1C1CCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-methylidenecyclopropyl)cyclopentan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14O |
| Scaffold Graph Node Bond Level | C=C1CC1C1CCCC1 |
| Inchi Key | YIJFUFFHKLPQEG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cyclopentanol 1-(methylenecyclopropyl)- |
| Esol Class | Very soluble |
| Functional Groups | C=C1CC1, CO |
| Compound Name | 1-(2-Methylenecyclopropyl)cyclopentanol |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H14O/c1-7-6-8(7)9(10)4-2-3-5-9/h8,10H,1-6H2 |
| Smiles | C=C1CC1C2(CCCC2)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678