Basic information
- Standard SMILES
CC(=O)C(CC1CCC1)c1cccc(C#N)c1- InChIKey
UTISNEMDHDJLOW-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
Names & identifiers
- Preferred name
- 3-(3-Cyanophenyl)4-cyclobutyl-butan-2-one
- IUPAC
- 3-(1-cyclobutyl-3-oxobutan-2-yl)benzonitrile
Names & synonyms
SCHEMBL3372232UTISNEMDHDJLOW-UHFFFAOYSA-N3-(3-Cyanophenyl)4-cyclobutyl-butan-2-one3-(3-Cyanophenyl)-4-cyclobutyl-butan-2-one
Database identifiers
- PubChem CID
- 22270763
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
7 records
Compound notes
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