Basic information
- Standard SMILES
CCc1c(C)c(-c2cccc(C#N)c2)c(C)[nH]c1=O- InChIKey
OJHDNTDSOLLWRL-UHFFFAOYSA-N- Molecular formula
- C16H16N2O
- Average molar mass
- 252.31 g/mol
Names & identifiers
- Preferred name
- 3-(5-Ethyl-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
- IUPAC
- 3-(5-ethyl-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)benzonitrile
Names & synonyms
SCHEMBL2674057OJHDNTDSOLLWRL-UHFFFAOYSA-N3-(5-ethyl-2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
Database identifiers
- PubChem CID
- 11630222
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 504
Related reactions
2 records
Compound notes
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