1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one

C11H17NO2 — CID 79885793

IUPAC1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)CO
InChIInChI=1S/C11H17NO2/c1-8(7-13)6-12-9(2)4-11(14)5-10(12)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyKSAWXQKOHCOHQR-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.09
Rot. Bonds3

About 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one

1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885793) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
PubChem CID79885793
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)CO
InChIInChI=1S/C11H17NO2/c1-8(7-13)6-12-9(2)4-11(14)5-10(12)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyKSAWXQKOHCOHQR-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one (CID 79885793) is 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(C)CO.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The InChIKey is KSAWXQKOHCOHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(7-13)6-12-9(2)4-11(14)5-10(12)3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one has a molecular weight of 195.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).