6-chloro-1-methyl-1-benzazepine

C11H10ClN — CID 13448116

IUPAC6-chloro-1-methyl-1-benzazepine
SMILESCN1C=CC=Cc2c(Cl)cccc21
InChIInChI=1S/C11H10ClN/c1-13-8-3-2-5-9-10(12)6-4-7-11(9)13/h2-8H,1H3
InChIKeyLXMZGROTHPXTSC-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.32
Rot. Bonds

About 6-chloro-1-methyl-1-benzazepine

6-chloro-1-methyl-1-benzazepine (PubChem CID 13448116) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 6-chloro-1-methyl-1-benzazepine.

Molecular Properties

Compound Name6-chloro-1-methyl-1-benzazepine
PubChem CID13448116
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name6-chloro-1-methyl-1-benzazepine
SMILESCN1C=CC=Cc2c(Cl)cccc21
InChIInChI=1S/C11H10ClN/c1-13-8-3-2-5-9-10(12)6-4-7-11(9)13/h2-8H,1H3
InChIKeyLXMZGROTHPXTSC-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-1-benzazepine?
The IUPAC name of 6-chloro-1-methyl-1-benzazepine (CID 13448116) is 6-chloro-1-methyl-1-benzazepine.
What is the SMILES notation for 6-chloro-1-methyl-1-benzazepine?
The canonical SMILES for 6-chloro-1-methyl-1-benzazepine is CN1C=CC=Cc2c(Cl)cccc21.
What is the InChIKey of 6-chloro-1-methyl-1-benzazepine?
The InChIKey is LXMZGROTHPXTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-13-8-3-2-5-9-10(12)6-4-7-11(9)13/h2-8H,1H3.
What are the key properties of 6-chloro-1-methyl-1-benzazepine?
6-chloro-1-methyl-1-benzazepine has a molecular weight of 191.66 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-1-benzazepine is sourced from PubChem (CID 13448116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).