azepan-2-one

C6H11NO — CID 7768

IUPACazepan-2-one
SMILESO=C1CCCCCN1
InChIInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKeyJBKVHLHDHHXQEQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.68
Rot. Bonds

About azepan-2-one

azepan-2-one (PubChem CID 7768) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is azepan-2-one.

Molecular Properties

Compound Nameazepan-2-one
PubChem CID7768
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Nameazepan-2-one
SMILESO=C1CCCCCN1
InChIInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKeyJBKVHLHDHHXQEQ-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azepan-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

D-2-Aminohexano-6-lactam
CID 439823
L-2-aminohexano-6-lactam
CID 440599
2H-Azepin-2-one, 1-(3-aminopropyl)hexahydro-
CID 90542
2H-Azepin-2-one, 3-aminohexahydro-
CID 102463
6-Methylazepan-2-one
CID 22520
2H-Azepin-2-one, hexahydro-, polymer with oxirane
CID 161529
7-Methylcaprolactam
CID 137273
N-butylhexanamide
CID 252522
Sodium caprolactamate
CID 10964565
4-Methylcaprolactam
CID 19242
3-Methylcaprolactam
CID 581216
3-Bromoazepan-2-one
CID 11030635

Frequently Asked Questions

What is the IUPAC name of azepan-2-one?
The IUPAC name of azepan-2-one (CID 7768) is azepan-2-one.
What is the SMILES notation for azepan-2-one?
The canonical SMILES for azepan-2-one is O=C1CCCCCN1.
What is the InChIKey of azepan-2-one?
The InChIKey is JBKVHLHDHHXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8).
What are the key properties of azepan-2-one?
azepan-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one is sourced from PubChem (CID 7768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).