1-(3-hydroxypropyl)-3-methylpyridin-4-one

C9H13NO2 — CID 20772150

IUPAC1-(3-hydroxypropyl)-3-methylpyridin-4-one
SMILESCc1cn(CCCO)ccc1=O
InChIInChI=1S/C9H13NO2/c1-8-7-10(4-2-6-11)5-3-9(8)12/h3,5,7,11H,2,4,6H2,1H3
InChIKeySWJPWYKFSXOBAG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.54
Rot. Bonds3

About 1-(3-hydroxypropyl)-3-methylpyridin-4-one

1-(3-hydroxypropyl)-3-methylpyridin-4-one (PubChem CID 20772150) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-methylpyridin-4-one
PubChem CID20772150
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(3-hydroxypropyl)-3-methylpyridin-4-one
SMILESCc1cn(CCCO)ccc1=O
InChIInChI=1S/C9H13NO2/c1-8-7-10(4-2-6-11)5-3-9(8)12/h3,5,7,11H,2,4,6H2,1H3
InChIKeySWJPWYKFSXOBAG-UHFFFAOYSA-N
XLogP0.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoro-2-hydroxypropyl)-3-methyl-1,4-dihydropyridin-4-one
CID 165786619
3-Hydroxymethyl-1-methylpyrid-4-one
CID 13336722
1-(3-Hydroxypropyl)-1,4-dihydro-4-pyridone
CID 22624886
1-[2-(Hydroxymethyl)butyl]pyridin-4-one
CID 70376754
1-(3-Hydroxy-2-methylpropyl)pyridin-4-one
CID 70536166
1-(Hydroxymethyl)-3,5-dimethylpyridin-4-one
CID 154455274
1-(3-Hydroxybutyl)pyridin-4-one
CID 62880517
3-Ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 100948052
1-(2-Hydroxyethyl)-3-methylpyridin-4-one
CID 100948053
2-Methyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
CID 130576933
3-(3-Methyl-4-oxo-1-pyridinyl)propanoic acid
CID 130576934
2,2-Dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
CID 130576936

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-methylpyridin-4-one?
The IUPAC name of 1-(3-hydroxypropyl)-3-methylpyridin-4-one (CID 20772150) is 1-(3-hydroxypropyl)-3-methylpyridin-4-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-methylpyridin-4-one?
The canonical SMILES for 1-(3-hydroxypropyl)-3-methylpyridin-4-one is Cc1cn(CCCO)ccc1=O.
What is the InChIKey of 1-(3-hydroxypropyl)-3-methylpyridin-4-one?
The InChIKey is SWJPWYKFSXOBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8-7-10(4-2-6-11)5-3-9(8)12/h3,5,7,11H,2,4,6H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-3-methylpyridin-4-one?
1-(3-hydroxypropyl)-3-methylpyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-methylpyridin-4-one is sourced from PubChem (CID 20772150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).