5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine

C14H15N — CID 18616178

IUPAC5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine
SMILESC1=CC2NCCc3ccccc3C2C=C1
InChIInChI=1S/C14H15N/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-8,13-15H,9-10H2
InChIKeyPCAZBRROKNRJJH-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.41
Rot. Bonds

About 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine

5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine (PubChem CID 18616178) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine.

Molecular Properties

Compound Name5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine
PubChem CID18616178
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine
SMILESC1=CC2NCCc3ccccc3C2C=C1
InChIInChI=1S/C14H15N/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-8,13-15H,9-10H2
InChIKeyPCAZBRROKNRJJH-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6,7,11b-tetrahydro-4aH-benzo[d][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 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine?
The IUPAC name of 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine (CID 18616178) is 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine.
What is the SMILES notation for 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine?
The canonical SMILES for 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine is C1=CC2NCCc3ccccc3C2C=C1.
What is the InChIKey of 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine?
The InChIKey is PCAZBRROKNRJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-8,13-15H,9-10H2.
What are the key properties of 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine?
5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine has a molecular weight of 197.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,11b-tetrahydro-4aH-benzo[d][1]benzazepine is sourced from PubChem (CID 18616178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).