1-methyl-4-[(Z)-2-nitroprop-1-enyl]quinolin-2-one
Basic information
- CAS
91955-46-3- Standard SMILES
C/C(=C/c1cc(=O)n(C)c2ccccc12)[N+](=O)[O-]- InChIKey
YDOGYDHXVQEEPG-CLFYSBASSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- 1-methyl-4-[(Z)-2-nitroprop-1-enyl]quinolin-2-one
- IUPAC
- 1-methyl-4-[(Z)-2-nitroprop-1-enyl]quinolin-2-one
Names & synonyms
NSC108465NSC-108465
Database identifiers
- CAS
91955-46-3- PubChem CID
- 5380980
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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