1-butyl-4-hydroxy-6-methylpyridin-2-one

C10H15NO2 — CID 54710228

IUPAC1-butyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCCCn1c(C)cc(O)cc1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-11-8(2)6-9(12)7-10(11)13/h6-7,12H,3-5H2,1-2H3
InChIKeyJJSFPLJDBHZCHU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.66
Rot. Bonds3

About 1-butyl-4-hydroxy-6-methylpyridin-2-one

1-butyl-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54710228) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-6-methylpyridin-2-one
PubChem CID54710228
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-butyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCCCn1c(C)cc(O)cc1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-11-8(2)6-9(12)7-10(11)13/h6-7,12H,3-5H2,1-2H3
InChIKeyJJSFPLJDBHZCHU-UHFFFAOYSA-N
XLogP1.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-1,6-dimethyl-1,2-dihydropyridin-2-one
CID 54676118
1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54680702
4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2(1H)-one
CID 54687828
1-Cyclopropyl-4-hydroxy-6-methyl-1,2-dihydropyridin-2-one
CID 54704852
3-(4-Hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 54713301
4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54680651
2-Hydroxy-4H-quinolizin-4-one
CID 102058264
5-Hydroxy-6-methyl-1-(2-oxopropyl)pyridin-2-one
CID 124016715
4-Hydroxy-1-pentyl-6-(trifluoromethyl)pyridin-2-one
CID 172416748
1-Butyl-4-hydroxy-6-(trifluoromethyl)pyridin-2-one
CID 172416749
4-Hydroxy-1-propyl-6-(trifluoromethyl)pyridin-2-one
CID 172416750
4-Hydroxy-1-(2-methylpropyl)-6-(trifluoromethyl)pyridin-2-one
CID 172416751

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-butyl-4-hydroxy-6-methylpyridin-2-one (CID 54710228) is 1-butyl-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-butyl-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-butyl-4-hydroxy-6-methylpyridin-2-one is CCCCn1c(C)cc(O)cc1=O.
What is the InChIKey of 1-butyl-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is JJSFPLJDBHZCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-11-8(2)6-9(12)7-10(11)13/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 1-butyl-4-hydroxy-6-methylpyridin-2-one?
1-butyl-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54710228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).