1-propanoylpyridin-4-one

C8H9NO2 — CID 12624110

IUPAC1-propanoylpyridin-4-one
SMILESCCC(=O)n1ccc(=O)cc1
InChIInChI=1S/C8H9NO2/c1-2-8(11)9-5-3-7(10)4-6-9/h3-6H,2H2,1H3
InChIKeyLYNGMZIUBUMGNB-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.90
Rot. Bonds1

About 1-propanoylpyridin-4-one

1-propanoylpyridin-4-one (PubChem CID 12624110) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-propanoylpyridin-4-one.

Molecular Properties

Compound Name1-propanoylpyridin-4-one
PubChem CID12624110
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-propanoylpyridin-4-one
SMILESCCC(=O)n1ccc(=O)cc1
InChIInChI=1S/C8H9NO2/c1-2-8(11)9-5-3-7(10)4-6-9/h3-6H,2H2,1H3
InChIKeyLYNGMZIUBUMGNB-UHFFFAOYSA-N
XLogP0.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propanoylpyridin-4-one?
The IUPAC name of 1-propanoylpyridin-4-one (CID 12624110) is 1-propanoylpyridin-4-one.
What is the SMILES notation for 1-propanoylpyridin-4-one?
The canonical SMILES for 1-propanoylpyridin-4-one is CCC(=O)n1ccc(=O)cc1.
What is the InChIKey of 1-propanoylpyridin-4-one?
The InChIKey is LYNGMZIUBUMGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-8(11)9-5-3-7(10)4-6-9/h3-6H,2H2,1H3.
What are the key properties of 1-propanoylpyridin-4-one?
1-propanoylpyridin-4-one has a molecular weight of 151.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylpyridin-4-one is sourced from PubChem (CID 12624110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).