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

C8H11NO2 — CID 22624886

IUPAC1-(3-hydroxypropyl)pyridin-4-one
SMILESO=c1ccn(CCCO)cc1
InChIInChI=1S/C8H11NO2/c10-7-1-4-9-5-2-8(11)3-6-9/h2-3,5-6,10H,1,4,7H2
InChIKeyPMARXWBRXYBABD-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.23
Rot. Bonds3

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

1-(3-hydroxypropyl)pyridin-4-one (PubChem CID 22624886) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)pyridin-4-one
PubChem CID22624886
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-(3-hydroxypropyl)pyridin-4-one
SMILESO=c1ccn(CCCO)cc1
InChIInChI=1S/C8H11NO2/c10-7-1-4-9-5-2-8(11)3-6-9/h2-3,5-6,10H,1,4,7H2
InChIKeyPMARXWBRXYBABD-UHFFFAOYSA-N
XLogP0.23
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoro-2-hydroxypropyl)-1,4-dihydropyridin-4-one
CID 165597488
1-(3-Hydroxypropyl)-3-methylpyridin-4-one
CID 20772150
1-(4-Hydroxybutyl)pyridin-4-one
CID 21388049
1-(2-Hydroxyethyl)-1,4-dihydro-4-pyridone
CID 22624935
CID 59090937
CID 59090937
1-[2-(Hydroxymethyl)butyl]pyridin-4-one
CID 70376754
1-(3-Hydroxy-2-methylpropyl)pyridin-4-one
CID 70536166
1-(Hydroxymethyl)pyridin-4-one
CID 130028073
1-(3-hydroxypropyl)-2H-pyrrol-3-one
CID 141105454
1-(2-Hydroxypropyl)pyridin-4-one
CID 24741362
1-(2-Hydroxybutyl)pyridin-4-one
CID 62880344
1-(5-Hydroxypentyl)pyridin-4-one
CID 62880345

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)pyridin-4-one?
The IUPAC name of 1-(3-hydroxypropyl)pyridin-4-one (CID 22624886) is 1-(3-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 1-(3-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 1-(3-hydroxypropyl)pyridin-4-one is O=c1ccn(CCCO)cc1.
What is the InChIKey of 1-(3-hydroxypropyl)pyridin-4-one?
The InChIKey is PMARXWBRXYBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-1-4-9-5-2-8(11)3-6-9/h2-3,5-6,10H,1,4,7H2.
What are the key properties of 1-(3-hydroxypropyl)pyridin-4-one?
1-(3-hydroxypropyl)pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 22624886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).