5-ethyl-4,5-dihydro-3H-pyridin-2-one

C7H11NO — CID 123333239

IUPAC5-ethyl-4,5-dihydro-3H-pyridin-2-one
SMILESCCC1C=NC(=O)CC1
InChIInChI=1S/C7H11NO/c1-2-6-3-4-7(9)8-5-6/h5-6H,2-4H2,1H3
InChIKeyXWSHMUAJKCUQFD-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.40
Rot. Bonds1

About 5-ethyl-4,5-dihydro-3H-pyridin-2-one

5-ethyl-4,5-dihydro-3H-pyridin-2-one (PubChem CID 123333239) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-ethyl-4,5-dihydro-3H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4,5-dihydro-3H-pyridin-2-one
PubChem CID123333239
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-ethyl-4,5-dihydro-3H-pyridin-2-one
SMILESCCC1C=NC(=O)CC1
InChIInChI=1S/C7H11NO/c1-2-6-3-4-7(9)8-5-6/h5-6H,2-4H2,1H3
InChIKeyXWSHMUAJKCUQFD-UHFFFAOYSA-N
XLogP1.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-4,5-dihydro-3H-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

3-methyl-1-oxido-4,5-dihydro-3H-pyridin-1-ium-2-one
CID 178244338
5,6-Dimethyl-4,5-dihydropyridin-2(3H)-one
CID 45092793
1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
3-methyl-4,5-dihydro-3H-pyridin-2-one
CID 57121914
N-(cyclohexylmethylidene)-2-methylbutanamide
CID 58811001
N-ethylidenecyclohexanecarboxamide
CID 59324659
(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
CID 89024010
4,4-Dimethyl-3,5-dihydropyridin-2-one
CID 153714555
3-Pentyl-3,4-dihydropyrrol-2-one
CID 162720020
3-Butyl-3,4-dihydropyrrol-2-one
CID 172220184
3-Propyl-3,4-dihydropyrrol-2-one
CID 172220185
3-Tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one
CID 178011838

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5-dihydro-3H-pyridin-2-one?
The IUPAC name of 5-ethyl-4,5-dihydro-3H-pyridin-2-one (CID 123333239) is 5-ethyl-4,5-dihydro-3H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-4,5-dihydro-3H-pyridin-2-one?
The canonical SMILES for 5-ethyl-4,5-dihydro-3H-pyridin-2-one is CCC1C=NC(=O)CC1.
What is the InChIKey of 5-ethyl-4,5-dihydro-3H-pyridin-2-one?
The InChIKey is XWSHMUAJKCUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-3-4-7(9)8-5-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-ethyl-4,5-dihydro-3H-pyridin-2-one?
5-ethyl-4,5-dihydro-3H-pyridin-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5-dihydro-3H-pyridin-2-one is sourced from PubChem (CID 123333239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).