2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C17H28N2O2 — CID 79539723

IUPAC2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)N1CCCCCC1
InChIInChI=1S/C17H28N2O2/c20-16-10-4-3-8-14(16)15-9-7-13-19(15)17(21)18-11-5-1-2-6-12-18/h14-15H,1-13H2
InChIKeyIHEYYKPZQNBASH-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.21
Rot. Bonds1

About 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79539723) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79539723
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)N1CCCCCC1
InChIInChI=1S/C17H28N2O2/c20-16-10-4-3-8-14(16)15-9-7-13-19(15)17(21)18-11-5-1-2-6-12-18/h14-15H,1-13H2
InChIKeyIHEYYKPZQNBASH-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-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 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79539723) is 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1C(=O)N1CCCCCC1.
What is the InChIKey of 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is IHEYYKPZQNBASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16-10-4-3-8-14(16)15-9-7-13-19(15)17(21)18-11-5-1-2-6-12-18/h14-15H,1-13H2.
What are the key properties of 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 292.42 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepane-1-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79539723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).