1-(2-oxopropyl)pyridin-4-one

C8H9NO2 — CID 62879501

IUPAC1-(2-oxopropyl)pyridin-4-one
SMILESCC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H9NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeySWBWDYDTUBXKHA-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.44
Rot. Bonds2

About 1-(2-oxopropyl)pyridin-4-one

1-(2-oxopropyl)pyridin-4-one (PubChem CID 62879501) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2-oxopropyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2-oxopropyl)pyridin-4-one
PubChem CID62879501
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-(2-oxopropyl)pyridin-4-one
SMILESCC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H9NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeySWBWDYDTUBXKHA-UHFFFAOYSA-N
XLogP0.44
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)pyridin-4-one?
The IUPAC name of 1-(2-oxopropyl)pyridin-4-one (CID 62879501) is 1-(2-oxopropyl)pyridin-4-one.
What is the SMILES notation for 1-(2-oxopropyl)pyridin-4-one?
The canonical SMILES for 1-(2-oxopropyl)pyridin-4-one is CC(=O)Cn1ccc(=O)cc1.
What is the InChIKey of 1-(2-oxopropyl)pyridin-4-one?
The InChIKey is SWBWDYDTUBXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 1-(2-oxopropyl)pyridin-4-one?
1-(2-oxopropyl)pyridin-4-one has a molecular weight of 151.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)pyridin-4-one is sourced from PubChem (CID 62879501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).