2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one
Basic information
- CAS
64388-49-4- Standard SMILES
CC1(C)CC(=O)C(C(=O)c2ccccc2)=[N+]1[O-]- InChIKey
FDCAJZHLVBOGNN-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one
- IUPAC
- 5-benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one
Names & synonyms
DTXSID5032000364388-49-42-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-oneRefChem:256463DTXCID90271126NSC353674NSC-353674
Database identifiers
- CAS
64388-49-4- PubChem CID
- 337054
- DTXSID
DTXSID50320003
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…