Basic information
- Standard SMILES
CC(C)(C)c1ccc(C(C#N)C(=O)c2ccncc2)cc1- InChIKey
HGDCWPFUBDBKEX-UHFFFAOYSA-N- Molecular formula
- C18H18N2O
- Average molar mass
- 278.3 g/mol
Names & identifiers
- Preferred name
- 2-Cyano-2-[4-(1,1-dimethylethyl)phenyl]-1-(4-pyridyl)ethanone
- IUPAC
- 2-(4-tert-butylphenyl)-3-oxo-3-pyridin-4-ylpropanenitrile
Names & synonyms
SCHEMBL6545507HGDCWPFUBDBKEX-UHFFFAOYSA-N2-cyano-2-[4-(1,1-dimethylethyl)phenyl]-1-(4-pyridyl)ethanone
Database identifiers
- PubChem CID
- 22993744
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
3 records
Compound notes
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