4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one

C11H17NO2 — CID 102551192

IUPAC4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one
SMILESCCC(C)Cn1c(C)cc(O)cc1=O
InChIInChI=1S/C11H17NO2/c1-4-8(2)7-12-9(3)5-10(13)6-11(12)14/h5-6,8,13H,4,7H2,1-3H3
InChIKeyQOOYCKGRCXSBIB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.91
Rot. Bonds3

About 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one

4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one (PubChem CID 102551192) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one
PubChem CID102551192
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one
SMILESCCC(C)Cn1c(C)cc(O)cc1=O
InChIInChI=1S/C11H17NO2/c1-4-8(2)7-12-9(3)5-10(13)6-11(12)14/h5-6,8,13H,4,7H2,1-3H3
InChIKeyQOOYCKGRCXSBIB-UHFFFAOYSA-N
XLogP1.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one (CID 102551192) is 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one is CCC(C)Cn1c(C)cc(O)cc1=O.
What is the InChIKey of 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one?
The InChIKey is QOOYCKGRCXSBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-8(2)7-12-9(3)5-10(13)6-11(12)14/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one?
4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-1-(2-methylbutyl)pyridin-2-one is sourced from PubChem (CID 102551192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).