4-hydroxy-1-(3-methylbutyl)pyridin-2-one

C10H15NO2 — CID 66885665

IUPAC4-hydroxy-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1ccc(O)cc1=O
InChIInChI=1S/C10H15NO2/c1-8(2)3-5-11-6-4-9(12)7-10(11)13/h4,6-8,12H,3,5H2,1-2H3
InChIKeyQKWYZZKEXFLNBK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.60
Rot. Bonds3

About 4-hydroxy-1-(3-methylbutyl)pyridin-2-one

4-hydroxy-1-(3-methylbutyl)pyridin-2-one (PubChem CID 66885665) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylbutyl)pyridin-2-one
PubChem CID66885665
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-hydroxy-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1ccc(O)cc1=O
InChIInChI=1S/C10H15NO2/c1-8(2)3-5-11-6-4-9(12)7-10(11)13/h4,6-8,12H,3,5H2,1-2H3
InChIKeyQKWYZZKEXFLNBK-UHFFFAOYSA-N
XLogP1.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylbutyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(3-methylbutyl)pyridin-2-one (CID 66885665) is 4-hydroxy-1-(3-methylbutyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(3-methylbutyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(3-methylbutyl)pyridin-2-one is CC(C)CCn1ccc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(3-methylbutyl)pyridin-2-one?
The InChIKey is QKWYZZKEXFLNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)3-5-11-6-4-9(12)7-10(11)13/h4,6-8,12H,3,5H2,1-2H3.
What are the key properties of 4-hydroxy-1-(3-methylbutyl)pyridin-2-one?
4-hydroxy-1-(3-methylbutyl)pyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylbutyl)pyridin-2-one is sourced from PubChem (CID 66885665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).