7-chloro-1H-1-benzazepine

C10H8ClN — CID 172748192

IUPAC7-chloro-1H-1-benzazepine
SMILESClc1ccc2c(c1)C=CC=CN2
InChIInChI=1S/C10H8ClN/c11-9-4-5-10-8(7-9)3-1-2-6-12-10/h1-7,12H
InChIKeyJZWOXYRZPZKEPC-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.29
Rot. Bonds

About 7-chloro-1H-1-benzazepine

7-chloro-1H-1-benzazepine (PubChem CID 172748192) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 7-chloro-1H-1-benzazepine.

Molecular Properties

Compound Name7-chloro-1H-1-benzazepine
PubChem CID172748192
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name7-chloro-1H-1-benzazepine
SMILESClc1ccc2c(c1)C=CC=CN2
InChIInChI=1S/C10H8ClN/c11-9-4-5-10-8(7-9)3-1-2-6-12-10/h1-7,12H
InChIKeyJZWOXYRZPZKEPC-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-1-benzazepine?
The IUPAC name of 7-chloro-1H-1-benzazepine (CID 172748192) is 7-chloro-1H-1-benzazepine.
What is the SMILES notation for 7-chloro-1H-1-benzazepine?
The canonical SMILES for 7-chloro-1H-1-benzazepine is Clc1ccc2c(c1)C=CC=CN2.
What is the InChIKey of 7-chloro-1H-1-benzazepine?
The InChIKey is JZWOXYRZPZKEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-9-4-5-10-8(7-9)3-1-2-6-12-10/h1-7,12H.
What are the key properties of 7-chloro-1H-1-benzazepine?
7-chloro-1H-1-benzazepine has a molecular weight of 177.63 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-1-benzazepine is sourced from PubChem (CID 172748192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).