5-chloro-1H-1-benzazepine

C10H8ClN — CID 154949039

IUPAC5-chloro-1H-1-benzazepine
SMILESClC1=CC=CNc2ccccc21
InChIInChI=1S/C10H8ClN/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-7,12H
InChIKeyAVOAKOTXHIHDAA-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.21
Rot. Bonds

About 5-chloro-1H-1-benzazepine

5-chloro-1H-1-benzazepine (PubChem CID 154949039) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 5-chloro-1H-1-benzazepine.

Molecular Properties

Compound Name5-chloro-1H-1-benzazepine
PubChem CID154949039
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name5-chloro-1H-1-benzazepine
SMILESClC1=CC=CNc2ccccc21
InChIInChI=1S/C10H8ClN/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-7,12H
InChIKeyAVOAKOTXHIHDAA-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1H-1-benzazepin-5-ol
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2-[4-(1H-1-benzazepine-5-carbonyl)-2-chloro-3-(3-chlorophenyl)phenyl]acetamide
CID 67642743
4H-chromeno[3,4-b]pyridine
CID 23179949
2,6-dihydroimidazo[4,5-d][1]benzazepine
CID 175809510
2-(2-methylphenyl)-1H-azepine
CID 150769015
2-naphthalen-1-yl-1H-azepine
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CID 135995139
1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one
CID 24977556
5H-benzo[d][1]benzazepine;1,2-oxazole
CID 159629628
5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one
CID 137484681
7-azabicyclo[4.2.0]octa-1,3,5-triene-8-thione
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-1-benzazepine?
The IUPAC name of 5-chloro-1H-1-benzazepine (CID 154949039) is 5-chloro-1H-1-benzazepine.
What is the SMILES notation for 5-chloro-1H-1-benzazepine?
The canonical SMILES for 5-chloro-1H-1-benzazepine is ClC1=CC=CNc2ccccc21.
What is the InChIKey of 5-chloro-1H-1-benzazepine?
The InChIKey is AVOAKOTXHIHDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-7,12H.
What are the key properties of 5-chloro-1H-1-benzazepine?
5-chloro-1H-1-benzazepine has a molecular weight of 177.63 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-1-benzazepine is sourced from PubChem (CID 154949039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).