Basic information
- Standard SMILES
CN1C(=O)C[C@H](c2ccccc2)[C@@H]1C=O- InChIKey
JYJUDDQCGHNPBK-MNOVXSKESA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- (-)-(4R*,5R*)-5-formyl-1-methyl-4-phenylpyrrolidin-2-one
- IUPAC
- (2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidine-2-carbaldehyde
Names & synonyms
SCHEMBL6767544JYJUDDQCGHNPBK-MNOVXSKESA-N(-)-(4R*,5R*)-5-formyl-1-methyl-4-phenylpyrrolidin-2-one(+/-)-(4R*,5R*)-5-formyl-1-methyl-4-phenylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 13825985
- Nikkaji
- J3.146.959G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
14 records
Compound notes
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