HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Pyrrolidinone, 5-((3,4-dimethoxyphenyl)methyl)-3,3-dimethyl-
5-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylpyrrolidin-2-one · 2-Pyrrolidinone, 5-((3,4-dimethoxyphenyl)methyl)-3,3-dimethyl-
Identifiers & Physical Properties
| CAS No. | 97561-94-9 |
|---|---|
| Molecular formula | C15H21NO3 |
| Average molar mass | 263.33 g/mol |
| Monoisotopic mass | 263.15214353 g/mol |
| SMILES | COc1ccc(CC2CC(C)(C)C(=O)N2)cc1OC |
| InChIKey | AYPBVTIYNBOWCS-UHFFFAOYSA-N |
| PubChem CID | 3024924 |
| DTXSID | DTXSID90913832 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 47.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 329 |
| EWG's Food Scores | 1 |