6-Butanoyl-3,4-dihydroquinolin-2(1H)-one
Basic information
- CAS
64483-60-9- Standard SMILES
CCCC(=O)c1ccc2c(c1)CCC(=O)N2- InChIKey
UQRTUMJRQVFCMO-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 6-Butanoyl-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 6-butanoyl-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
64483-60-96-Butanoyl-3,4-dihydroquinolin-2(1H)-oneSCHEMBL10464245DTXSID80600628
Database identifiers
- CAS
64483-60-9- PubChem CID
- 19854652
- DTXSID
DTXSID80600628
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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