Cotinine
Representations & DB's id
| ||
| ChEBI: | CHEBI:68641 | |
|---|---|---|
| ChEMBL: | CHEMBL578211 | |
| PubChem: | 854019 | |
| IUPAC: | (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one | |
| Standard InChI: | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 | |
| Standard InChI Key: | UIKROCXWUNQSPJ-VIFPVBQESA-N | |
| SMILES: | O=C1CC[C@H](N1C)c1cccnc1 | |
Molecular propeties
| ||
| AlogP: | 1.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 176.09 | |
| Topological polar surface area: | 33.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 10 | |