azepan-2-one;ethane

C8H17NO — CID 91592472

IUPACazepan-2-one;ethane
SMILESCC.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C2H6/c8-6-4-2-1-3-5-7-6;1-2/h1-5H2,(H,7,8);1-2H3
InChIKeyNETIFPVEMDYABT-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.70
Rot. Bonds

About azepan-2-one;ethane

azepan-2-one;ethane (PubChem CID 91592472) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is azepan-2-one;ethane.

Molecular Properties

Compound Nameazepan-2-one;ethane
PubChem CID91592472
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameazepan-2-one;ethane
SMILESCC.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C2H6/c8-6-4-2-1-3-5-7-6;1-2/h1-5H2,(H,7,8);1-2H3
InChIKeyNETIFPVEMDYABT-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azepan-2-one;ethane 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 azepan-2-one;ethane?
The IUPAC name of azepan-2-one;ethane (CID 91592472) is azepan-2-one;ethane.
What is the SMILES notation for azepan-2-one;ethane?
The canonical SMILES for azepan-2-one;ethane is CC.O=C1CCCCCN1.
What is the InChIKey of azepan-2-one;ethane?
The InChIKey is NETIFPVEMDYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c8-6-4-2-1-3-5-7-6;1-2/h1-5H2,(H,7,8);1-2H3.
What are the key properties of azepan-2-one;ethane?
azepan-2-one;ethane has a molecular weight of 143.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;ethane is sourced from PubChem (CID 91592472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).