1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone

C9H13NO — CID 163775913

IUPAC1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone
SMILESCCC1C=CC(C(C)=O)=NC1
InChIInChI=1S/C9H13NO/c1-3-8-4-5-9(7(2)11)10-6-8/h4-5,8H,3,6H2,1-2H3
InChIKeyMKLRIDSTDJXMCO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone

1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone (PubChem CID 163775913) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone
PubChem CID163775913
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone
SMILESCCC1C=CC(C(C)=O)=NC1
InChIInChI=1S/C9H13NO/c1-3-8-4-5-9(7(2)11)10-6-8/h4-5,8H,3,6H2,1-2H3
InChIKeyMKLRIDSTDJXMCO-UHFFFAOYSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone 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

1-(3-Fluoro-2,3-dihydropyridin-6-yl)ethanone
CID 70264178
1-(2,3-Dihydropyridin-3-yl)ethanone
CID 57313014
1-(3-tert-butyl-2H-pyrrol-5-yl)ethanone
CID 58367514
1-(2,3-Dihydropyridin-6-yl)-2-methylpropan-1-one
CID 68049953
1-(6-Methyl-2,3-dihydropyridin-3-yl)ethanone
CID 89224171
1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone
CID 89313162
2-methyl-1-(2H-pyrrol-5-yl)propan-1-one
CID 89368532
(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
CID 91524353
6-Isopropylpyridin-2(3H)-one
CID 118968929
1-(2,3-Dihydropyridin-6-yl)ethanone
CID 121321845
(Z)-3-methyl-6-methyliminohept-4-en-2-one
CID 123343354
3-Methyliminohex-4-en-2-one
CID 123747362

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone?
The IUPAC name of 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone (CID 163775913) is 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone is CCC1C=CC(C(C)=O)=NC1.
What is the InChIKey of 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone?
The InChIKey is MKLRIDSTDJXMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8-4-5-9(7(2)11)10-6-8/h4-5,8H,3,6H2,1-2H3.
What are the key properties of 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone?
1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,3-dihydropyridin-6-yl)ethanone is sourced from PubChem (CID 163775913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).