1-Allyl-2-methyl-3-hydroxypyrid-4-one
Basic information
- CAS
126055-15-0- Standard SMILES
C=CCn1ccc(=O)c(O)c1C- InChIKey
FPIZVOQFIJHWIS-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Allyl-2-methyl-3-hydroxypyrid-4-one
- IUPAC
- 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one
Names & synonyms
L1NAll1-Allyl-2-methyl-3-hydroxypyrid-4-oneRefChem:9074674(1H)-Pyridinone, 3-hydroxy-2-methyl-1-(2-propenyl)-126055-15-03-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one3-Hydroxy-2-methyl-1-(2-propenyl)-4(1H)-pyridinone1-Allyl-3-hydroxy-2-methylpyridin-4(1H)-oneSCHEMBL958138CHEMBL322506DTXSID80155062HK-16
Show more names
1-allyl-2-methyl-3-hydroxy pyrid-4-one1-allyl-3-hydroxy-2-methyl-pyridin-4-one3-Hydroxy-2-methyl-1-(prop-2-en-1-yl)pyridin-4(1H)-one
Database identifiers
- CAS
126055-15-0- PubChem CID
- 3012091
- DTXSID
DTXSID80155062- ChEMBL
CHEMBL322506- Nikkaji
- J732.695E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
LogP0.03
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Related reactions
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Compound notes
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