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

C10H15NO2 — CID 79361560

IUPAC1-(3-hydroxy-3-methylbutyl)pyridin-4-one
SMILESCC(C)(O)CCn1ccc(=O)cc1
InChIInChI=1S/C10H15NO2/c1-10(2,13)5-8-11-6-3-9(12)4-7-11/h3-4,6-7,13H,5,8H2,1-2H3
InChIKeyJDSROXYXRLRZLN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds3

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

1-(3-hydroxy-3-methylbutyl)pyridin-4-one (PubChem CID 79361560) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)pyridin-4-one
PubChem CID79361560
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(3-hydroxy-3-methylbutyl)pyridin-4-one
SMILESCC(C)(O)CCn1ccc(=O)cc1
InChIInChI=1S/C10H15NO2/c1-10(2,13)5-8-11-6-3-9(12)4-7-11/h3-4,6-7,13H,5,8H2,1-2H3
InChIKeyJDSROXYXRLRZLN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)pyridin-4-one?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)pyridin-4-one (CID 79361560) is 1-(3-hydroxy-3-methylbutyl)pyridin-4-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)pyridin-4-one?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)pyridin-4-one is CC(C)(O)CCn1ccc(=O)cc1.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)pyridin-4-one?
The InChIKey is JDSROXYXRLRZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,13)5-8-11-6-3-9(12)4-7-11/h3-4,6-7,13H,5,8H2,1-2H3.
What are the key properties of 1-(3-hydroxy-3-methylbutyl)pyridin-4-one?
1-(3-hydroxy-3-methylbutyl)pyridin-4-one has a molecular weight of 181.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)pyridin-4-one is sourced from PubChem (CID 79361560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).