2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one
5-benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one
Also Known As: 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one|5-benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one
CAS: 64388-49-4
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.08954 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Monoisotopic Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 64388-49-4 |
|---|---|
| SMILES | CC1(CC(=O)C(=[N+]1[O-])C(=O)C2=CC=CC=C2)C |
| InChIKey | FDCAJZHLVBOGNN-UHFFFAOYSA-N |
Product Overview
2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one (CAS 64388-49-4), with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol. IUPAC: 5-benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »