2H-azepine-6-carboxamide

C7H8N2O — CID 141039340

IUPAC2H-azepine-6-carboxamide
SMILESNC(=O)C1=CC=CCN=C1
InChIInChI=1S/C7H8N2O/c8-7(10)6-3-1-2-4-9-5-6/h1-3,5H,4H2,(H2,8,10)
InChIKeyQNOXPPYDIGSVKW-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.04
Rot. Bonds1

About 2H-azepine-6-carboxamide

2H-azepine-6-carboxamide (PubChem CID 141039340) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2H-azepine-6-carboxamide.

Molecular Properties

Compound Name2H-azepine-6-carboxamide
PubChem CID141039340
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2H-azepine-6-carboxamide
SMILESNC(=O)C1=CC=CCN=C1
InChIInChI=1S/C7H8N2O/c8-7(10)6-3-1-2-4-9-5-6/h1-3,5H,4H2,(H2,8,10)
InChIKeyQNOXPPYDIGSVKW-UHFFFAOYSA-N
XLogP0.04
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2H-azepine-6-carboxamide 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 2H-azepine-6-carboxamide?
The IUPAC name of 2H-azepine-6-carboxamide (CID 141039340) is 2H-azepine-6-carboxamide.
What is the SMILES notation for 2H-azepine-6-carboxamide?
The canonical SMILES for 2H-azepine-6-carboxamide is NC(=O)C1=CC=CCN=C1.
What is the InChIKey of 2H-azepine-6-carboxamide?
The InChIKey is QNOXPPYDIGSVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-7(10)6-3-1-2-4-9-5-6/h1-3,5H,4H2,(H2,8,10).
What are the key properties of 2H-azepine-6-carboxamide?
2H-azepine-6-carboxamide has a molecular weight of 136.15 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-azepine-6-carboxamide is sourced from PubChem (CID 141039340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).