2,3,4,5-tetrahydro-1H-2-benzazepine

C10H13N — CID 10464472

IUPAC2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESc1ccc2c(c1)CCCNC2
InChIInChI=1S/C10H13N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,11H,3,6-8H2
InChIKeySIQBPWRTJNBBER-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.72
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-2-benzazepine

2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 10464472) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID10464472
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESc1ccc2c(c1)CCCNC2
InChIInChI=1S/C10H13N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,11H,3,6-8H2
InChIKeySIQBPWRTJNBBER-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5-tetrahydro-1H-2-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 2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-2-benzazepine (CID 10464472) is 2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-2-benzazepine is c1ccc2c(c1)CCCNC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is SIQBPWRTJNBBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,11H,3,6-8H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-2-benzazepine?
2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 147.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 10464472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).