1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one

C13H18N2O2 — CID 17476400

IUPAC1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCCCC1
InChIInChI=1S/C13H18N2O2/c16-12-7-3-6-10-15(12)11-13(17)14-8-4-1-2-5-9-14/h3,6-7,10H,1-2,4-5,8-9,11H2
InChIKeyWLYZRKXOAALIJT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.25
Rot. Bonds2

About 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one

1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 17476400) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID17476400
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCCCC1
InChIInChI=1S/C13H18N2O2/c16-12-7-3-6-10-15(12)11-13(17)14-8-4-1-2-5-9-14/h3,6-7,10H,1-2,4-5,8-9,11H2
InChIKeyWLYZRKXOAALIJT-UHFFFAOYSA-N
XLogP1.25
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(azepan-1-yl)-2-oxoethyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one (CID 17476400) is 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is WLYZRKXOAALIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-7-3-6-10-15(12)11-13(17)14-8-4-1-2-5-9-14/h3,6-7,10H,1-2,4-5,8-9,11H2.
What are the key properties of 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 17476400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).