4-ethyl-1H-pyridin-2-one

C7H9NO — CID 19378747

IUPAC4-ethyl-1H-pyridin-2-one
SMILESCCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H9NO/c1-2-6-3-4-8-7(9)5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyXNPOEWPFEMDQDF-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.94
Rot. Bonds1

About 4-ethyl-1H-pyridin-2-one

4-ethyl-1H-pyridin-2-one (PubChem CID 19378747) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethyl-1H-pyridin-2-one
PubChem CID19378747
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-ethyl-1H-pyridin-2-one
SMILESCCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H9NO/c1-2-6-3-4-8-7(9)5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyXNPOEWPFEMDQDF-UHFFFAOYSA-N
XLogP0.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-1H-pyridin-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

Related Compounds

2-Hydroxy-4-methylpyridine
CID 280741
2-Hydroxy-5-methylpyridine
CID 70482
1,6-Dihydro-N-methyl-6-oxonicotinamide
CID 70510
3-Hydroxyisoquinoline
CID 2736554
3-Ethylpyridin-2-ol
CID 12354337
4-Acetyl-1,2-dihydropyridin-2-one
CID 21453482
5-(Aminomethyl)pyridin-2(1H)-one
CID 14846981
3,4-Dimethylpyridin-2(1H)-one
CID 13140339
4-Amino-5-methylpyridin-2(1H)-one
CID 13295732
2-Hydroxy-5-acetylpyridine
CID 15882189
5-Amino-4-methylpyridin-2-ol
CID 29919415
4-(1-Aminoethyl)pyridin-2-ol
CID 55293469

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyridin-2-one?
The IUPAC name of 4-ethyl-1H-pyridin-2-one (CID 19378747) is 4-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-ethyl-1H-pyridin-2-one?
The canonical SMILES for 4-ethyl-1H-pyridin-2-one is CCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-ethyl-1H-pyridin-2-one?
The InChIKey is XNPOEWPFEMDQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6-3-4-8-7(9)5-6/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 4-ethyl-1H-pyridin-2-one?
4-ethyl-1H-pyridin-2-one has a molecular weight of 123.15 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 19378747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).