(7S)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridine
PubChem CID: 92468113
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| Compound Synonyms | DTXSID301226947, 22324-97-6, (7S)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | C[C@H]CCcc5cncc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CC2CCNCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H11N |
| Scaffold Graph Node Bond Level | c1cc2c(cn1)CCC2 |
| Inchi Key | AYEYWOSWHMHDSZ-ZETCQYMHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4-noractinidine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | (7S)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridine |
| Exact Mass | 133.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 133.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 133.19 |
| 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/C9H11N/c1-7-2-3-8-4-5-10-6-9(7)8/h4-7H,2-3H2,1H3/t7-/m0/s1 |
| Smiles | C[C@H]1CCC2=C1C=NC=C2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Tecoma Stans (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279