5-acetyl-4,6-dimethyl-1H-pyridin-2-one
Basic information
- CAS
33831-77-5- Standard SMILES
CC(=O)c1c(C)cc(=O)[nH]c1C- InChIKey
ZNLSCQLJYHJABW-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 5-acetyl-4,6-dimethyl-1H-pyridin-2-one
- IUPAC
- 5-acetyl-4,6-dimethyl-1H-pyridin-2-one
Names & synonyms
NSC20130033831-77-5SCHEMBL7379657DTXSID30307998NSC-2013005-Acetyl-4,6-dimethylpyridin-2(1H)-one
Database identifiers
- CAS
33831-77-5- PubChem CID
- 304683
- DTXSID
DTXSID30307998
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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