6-(1-(Hydroxymethyl)-2,3,4,6,7,8,9,9A-Octahydro-1H-Quinolizin-3-Yl)-1H-Pyridin-2-One
PubChem CID: 323274
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| Compound Synonyms | NSC282172, 6-[1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one, 6-(1-(Hydroxymethyl)-2,3,4,6,7,8,9,9A-Octahydro-1H-Quinolizin-3-Yl)-1H-Pyridin-2-One, (+-)-Mamanine, (.+-.)-Mamanine, CHEMBL1970238, NSC-282172, NCI60_002314 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]-1H-pyridin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C15H22N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JAUFYQKXSPWZRV-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.301 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.884 |
| Compound Name | 6-(1-(Hydroxymethyl)-2,3,4,6,7,8,9,9A-Octahydro-1H-Quinolizin-3-Yl)-1H-Pyridin-2-One |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.168 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 262.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.557372810526316 |
| Inchi | InChI=1S/C15H22N2O2/c18-10-12-8-11(13-4-3-6-15(19)16-13)9-17-7-2-1-5-14(12)17/h3-4,6,11-12,14,18H,1-2,5,7-10H2,(H,16,19) |
| Smiles | C1CCN2CC(CC(C2C1)CO)C3=CC=CC(=O)N3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all