HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3,4,4a,5,6-Hexahydroquinolin-7(1H)-one
2,3,4,4a,5,6-Hexahydro-7(1H)-quinolinone · 7(1H)-Quinolinone, 2,3,4,4a,5,6-hexahydro-
Identifiers & Physical Properties
| CAS No. | 1971-15-9 |
|---|---|
| Molecular formula | C9H13NO |
| Average molar mass | 151.21 g/mol |
| Monoisotopic mass | 151.09971404 g/mol |
| SMILES | O=C1C=C2NCCCC2CC1 |
| InChIKey | QNOBNKURFXTERB-UHFFFAOYSA-N |
| PubChem CID | 12377964 |
| DTXSID | DTXSID90495244 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 208 |