3-hydroxy-1-propylpyridin-4-one

C8H11NO2 — CID 13206583

IUPAC3-hydroxy-1-propylpyridin-4-one
SMILESCCCn1ccc(=O)c(O)c1
InChIInChI=1S/C8H11NO2/c1-2-4-9-5-3-7(10)8(11)6-9/h3,5-6,11H,2,4H2,1H3
InChIKeyAOJSJHHBCFYPGM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.96
Rot. Bonds2

About 3-hydroxy-1-propylpyridin-4-one

3-hydroxy-1-propylpyridin-4-one (PubChem CID 13206583) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-hydroxy-1-propylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-propylpyridin-4-one
PubChem CID13206583
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-hydroxy-1-propylpyridin-4-one
SMILESCCCn1ccc(=O)c(O)c1
InChIInChI=1S/C8H11NO2/c1-2-4-9-5-3-7(10)8(11)6-9/h3,5-6,11H,2,4H2,1H3
InChIKeyAOJSJHHBCFYPGM-UHFFFAOYSA-N
XLogP0.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-propylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-propylpyridin-4-one (CID 13206583) is 3-hydroxy-1-propylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-propylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-propylpyridin-4-one is CCCn1ccc(=O)c(O)c1.
What is the InChIKey of 3-hydroxy-1-propylpyridin-4-one?
The InChIKey is AOJSJHHBCFYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-4-9-5-3-7(10)8(11)6-9/h3,5-6,11H,2,4H2,1H3.
What are the key properties of 3-hydroxy-1-propylpyridin-4-one?
3-hydroxy-1-propylpyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-propylpyridin-4-one is sourced from PubChem (CID 13206583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).