2-butyl-3-hydroxy-1,6-dimethylpyridin-4(1H)-one
Basic information
- Standard SMILES
CCCCc1c(O)c(=O)cc(C)n1C- InChIKey
ZVPKELDGMFQBBU-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- 2-butyl-3-hydroxy-1,6-dimethylpyridin-4(1H)-one
- IUPAC
- 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one
Names & synonyms
2-butyl-3-hydroxy-1,6-dimethylpyridin-4(1H)-oneCHEMBL155735DTXSID008765853-HYDROXYPYRIDIN-4-ONE,2-BUTYL,6-METHYL
Database identifiers
- PubChem CID
- 10035552
- DTXSID
DTXSID00876585- ChEMBL
CHEMBL155735- Nikkaji
- J1.670.812G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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