3-amino-1-benzazepin-5-one

C10H8N2O — CID 67614263

IUPAC3-amino-1-benzazepin-5-one
SMILESNc1cnc2ccccc2c(=O)c1
InChIInChI=1S/C10H8N2O/c11-7-5-10(13)8-3-1-2-4-9(8)12-6-7/h1-6H,11H2
InChIKeyFDTSDEFGDIOHNW-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.18
Rot. Bonds

About 3-amino-1-benzazepin-5-one

3-amino-1-benzazepin-5-one (PubChem CID 67614263) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-amino-1-benzazepin-5-one.

Molecular Properties

Compound Name3-amino-1-benzazepin-5-one
PubChem CID67614263
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name3-amino-1-benzazepin-5-one
SMILESNc1cnc2ccccc2c(=O)c1
InChIInChI=1S/C10H8N2O/c11-7-5-10(13)8-3-1-2-4-9(8)12-6-7/h1-6H,11H2
InChIKeyFDTSDEFGDIOHNW-UHFFFAOYSA-N
XLogP1.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-benzazepin-5-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 3-amino-1-benzazepin-5-one?
The IUPAC name of 3-amino-1-benzazepin-5-one (CID 67614263) is 3-amino-1-benzazepin-5-one.
What is the SMILES notation for 3-amino-1-benzazepin-5-one?
The canonical SMILES for 3-amino-1-benzazepin-5-one is Nc1cnc2ccccc2c(=O)c1.
What is the InChIKey of 3-amino-1-benzazepin-5-one?
The InChIKey is FDTSDEFGDIOHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-7-5-10(13)8-3-1-2-4-9(8)12-6-7/h1-6H,11H2.
What are the key properties of 3-amino-1-benzazepin-5-one?
3-amino-1-benzazepin-5-one has a molecular weight of 172.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzazepin-5-one is sourced from PubChem (CID 67614263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).