1-(azepan-1-yl)ethanone

C8H15NO — CID 22059

IUPAC1-(azepan-1-yl)ethanone
SMILESCC(=O)N1CCCCCC1
InChIInChI=1S/C8H15NO/c1-8(10)9-6-4-2-3-5-7-9/h2-7H2,1H3
InChIKeyVNEWJRXBYULGIA-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds

About 1-(azepan-1-yl)ethanone

1-(azepan-1-yl)ethanone (PubChem CID 22059) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)ethanone
PubChem CID22059
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(azepan-1-yl)ethanone
SMILESCC(=O)N1CCCCCC1
InChIInChI=1S/C8H15NO/c1-8(10)9-6-4-2-3-5-7-9/h2-7H2,1H3
InChIKeyVNEWJRXBYULGIA-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(azepan-1-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

N-Methylcaprolactam
CID 17369
N-Acetylcaprolactam
CID 15904
1-Ethylazepan-2-one
CID 29779
n,n-Dihexylacetamide
CID 243972
3-(Azepan-1-yl)-3-oxopropanenitrile
CID 534348
1-(Azepan-1-yl)hexan-1-one
CID 246832
N,N-Dipentylacetamide
CID 345912
Methylpentylacetamide
CID 151189
1-Hexylazepan-2-one
CID 181537
1-(Azepan-1-yl)butan-1-one
CID 303113
1-Azaperhydroepinyl-2-methylpropan-1-one
CID 3956371
Acetamide, N-butyl-N-pentyl-
CID 59584177

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)ethanone (CID 22059) is 1-(azepan-1-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)ethanone is CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)ethanone?
The InChIKey is VNEWJRXBYULGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(10)9-6-4-2-3-5-7-9/h2-7H2,1H3.
What are the key properties of 1-(azepan-1-yl)ethanone?
1-(azepan-1-yl)ethanone has a molecular weight of 141.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)ethanone is sourced from PubChem (CID 22059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).