1-(2-oxopropyl)-3,4-dihydropyridin-2-one

C8H11NO2 — CID 143873326

IUPAC1-(2-oxopropyl)-3,4-dihydropyridin-2-one
SMILESCC(=O)CN1C=CCCC1=O
InChIInChI=1S/C8H11NO2/c1-7(10)6-9-5-3-2-4-8(9)11/h3,5H,2,4,6H2,1H3
InChIKeyIRKCJNZQOQIEGK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds2

About 1-(2-oxopropyl)-3,4-dihydropyridin-2-one

1-(2-oxopropyl)-3,4-dihydropyridin-2-one (PubChem CID 143873326) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(2-oxopropyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-(2-oxopropyl)-3,4-dihydropyridin-2-one
PubChem CID143873326
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-(2-oxopropyl)-3,4-dihydropyridin-2-one
SMILESCC(=O)CN1C=CCCC1=O
InChIInChI=1S/C8H11NO2/c1-7(10)6-9-5-3-2-4-8(9)11/h3,5H,2,4,6H2,1H3
InChIKeyIRKCJNZQOQIEGK-UHFFFAOYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-oxopropyl)-3,4-dihydropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 1-(2-oxopropyl)-3,4-dihydropyridin-2-one (CID 143873326) is 1-(2-oxopropyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-(2-oxopropyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-(2-oxopropyl)-3,4-dihydropyridin-2-one is CC(=O)CN1C=CCCC1=O.
What is the InChIKey of 1-(2-oxopropyl)-3,4-dihydropyridin-2-one?
The InChIKey is IRKCJNZQOQIEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(10)6-9-5-3-2-4-8(9)11/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-(2-oxopropyl)-3,4-dihydropyridin-2-one?
1-(2-oxopropyl)-3,4-dihydropyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 143873326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).