7,10-dihydro-6H-benzo[b][1]benzazepine

C14H13N — CID 22063027

IUPAC7,10-dihydro-6H-benzo[b][1]benzazepine
SMILESC1=CCC2=C(C1)CC=c1ccccc1=N2
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-5,7,9H,6,8,10H2
InChIKeyRNKQODRJRZZLBO-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.09
Rot. Bonds

About 7,10-dihydro-6H-benzo[b][1]benzazepine

7,10-dihydro-6H-benzo[b][1]benzazepine (PubChem CID 22063027) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 7,10-dihydro-6H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name7,10-dihydro-6H-benzo[b][1]benzazepine
PubChem CID22063027
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name7,10-dihydro-6H-benzo[b][1]benzazepine
SMILESC1=CCC2=C(C1)CC=c1ccccc1=N2
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-5,7,9H,6,8,10H2
InChIKeyRNKQODRJRZZLBO-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7,10-dihydro-6H-benzo[b][1]benzazepine 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 7,10-dihydro-6H-benzo[b][1]benzazepine?
The IUPAC name of 7,10-dihydro-6H-benzo[b][1]benzazepine (CID 22063027) is 7,10-dihydro-6H-benzo[b][1]benzazepine.
What is the SMILES notation for 7,10-dihydro-6H-benzo[b][1]benzazepine?
The canonical SMILES for 7,10-dihydro-6H-benzo[b][1]benzazepine is C1=CCC2=C(C1)CC=c1ccccc1=N2.
What is the InChIKey of 7,10-dihydro-6H-benzo[b][1]benzazepine?
The InChIKey is RNKQODRJRZZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-5,7,9H,6,8,10H2.
What are the key properties of 7,10-dihydro-6H-benzo[b][1]benzazepine?
7,10-dihydro-6H-benzo[b][1]benzazepine has a molecular weight of 195.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dihydro-6H-benzo[b][1]benzazepine is sourced from PubChem (CID 22063027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).