6,7,8,9-tetrahydro-1H-1-benzazepine

C10H13N — CID 67639352

IUPAC6,7,8,9-tetrahydro-1H-1-benzazepine
SMILESC1=CNC2=C(C=C1)CCCC2
InChIInChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h3-4,6,8,11H,1-2,5,7H2
InChIKeyUETVLEKMWYVDNU-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.49
Rot. Bonds

About 6,7,8,9-tetrahydro-1H-1-benzazepine

6,7,8,9-tetrahydro-1H-1-benzazepine (PubChem CID 67639352) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-1H-1-benzazepine
PubChem CID67639352
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name6,7,8,9-tetrahydro-1H-1-benzazepine
SMILESC1=CNC2=C(C=C1)CCCC2
InChIInChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h3-4,6,8,11H,1-2,5,7H2
InChIKeyUETVLEKMWYVDNU-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7,8,9-tetrahydro-1H-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 6,7,8,9-tetrahydro-1H-1-benzazepine?
The IUPAC name of 6,7,8,9-tetrahydro-1H-1-benzazepine (CID 67639352) is 6,7,8,9-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 6,7,8,9-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 6,7,8,9-tetrahydro-1H-1-benzazepine is C1=CNC2=C(C=C1)CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-1H-1-benzazepine?
The InChIKey is UETVLEKMWYVDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h3-4,6,8,11H,1-2,5,7H2.
What are the key properties of 6,7,8,9-tetrahydro-1H-1-benzazepine?
6,7,8,9-tetrahydro-1H-1-benzazepine has a molecular weight of 147.22 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 67639352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).