HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Methylidene-1-(4-methylphenyl)pyrrolidin-2-one
Identifiers & Physical Properties
| CAS No. | 70259-97-1 |
|---|---|
| Molecular formula | C12H13NO |
| Average molar mass | 187.24 g/mol |
| Monoisotopic mass | 187.09971404 g/mol |
| SMILES | C=C1CCN(c2ccc(C)cc2)C1=O |
| InChIKey | DMXCXVILHMZQND-UHFFFAOYSA-N |
| PubChem CID | 321908 |
| DTXSID | DTXSID40313762 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 20.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 251 |