2,4,7-trimethyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-4a-ol
PubChem CID: 85361059
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Terpenoid alkaloids |
| Deep Smiles | CNCCC)CCC6)CC)CC5))))O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Piperidines |
| Scaffold Graph Node Level | C1CC2CCNCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,7-trimethyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-4a-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H21NO |
| Scaffold Graph Node Bond Level | C1CC2CCNCC2C1 |
| Inchi Key | PZZXYDQKZIGACT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4-hydroxyskytanthine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C, CO |
| Compound Name | 2,4,7-trimethyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-4a-ol |
| Exact Mass | 183.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 183.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H21NO/c1-8-4-5-11(13)9(2)6-12(3)7-10(8)11/h8-10,13H,4-7H2,1-3H3 |
| Smiles | CC1CCC2(C1CN(CC2C)C)O |
| Np Classifier Biosynthetic Pathway | Alkaloids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Tecoma Stans (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279