Basic information
- Standard SMILES
CCCCc1ccc(C(C)=O)nc1- InChIKey
QSDCCOXLGMMCHT-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
Names & identifiers
- Preferred name
- 1-(5-Butyl-pyridin-2-yl)-ethanone
- IUPAC
- 1-(5-butyl-2-pyridinyl)ethanone
Names & synonyms
1-(5-Butyl-pyridin-2-yl)-ethanoneSCHEMBL4821651QSDCCOXLGMMCHT-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12436286
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
3 records
Compound notes
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