1,2-benzodiazepin-9-one;hydrochloride

C9H7ClN2O — CID 22364300

IUPAC1,2-benzodiazepin-9-one;hydrochloride
SMILESCl.O=c1cccc2cccnnc1-2
InChIInChI=1S/C9H6N2O.ClH/c12-8-5-1-3-7-4-2-6-10-11-9(7)8;/h1-6H;1H
InChIKeyYHJGCSWOAZNKTP-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.36
Rot. Bonds

About 1,2-benzodiazepin-9-one;hydrochloride

1,2-benzodiazepin-9-one;hydrochloride (PubChem CID 22364300) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1,2-benzodiazepin-9-one;hydrochloride.

Molecular Properties

Compound Name1,2-benzodiazepin-9-one;hydrochloride
PubChem CID22364300
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1,2-benzodiazepin-9-one;hydrochloride
SMILESCl.O=c1cccc2cccnnc1-2
InChIInChI=1S/C9H6N2O.ClH/c12-8-5-1-3-7-4-2-6-10-11-9(7)8;/h1-6H;1H
InChIKeyYHJGCSWOAZNKTP-UHFFFAOYSA-N
XLogP1.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-benzodiazepin-9-one;hydrochloride 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 1,2-benzodiazepin-9-one;hydrochloride?
The IUPAC name of 1,2-benzodiazepin-9-one;hydrochloride (CID 22364300) is 1,2-benzodiazepin-9-one;hydrochloride.
What is the SMILES notation for 1,2-benzodiazepin-9-one;hydrochloride?
The canonical SMILES for 1,2-benzodiazepin-9-one;hydrochloride is Cl.O=c1cccc2cccnnc1-2.
What is the InChIKey of 1,2-benzodiazepin-9-one;hydrochloride?
The InChIKey is YHJGCSWOAZNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O.ClH/c12-8-5-1-3-7-4-2-6-10-11-9(7)8;/h1-6H;1H.
What are the key properties of 1,2-benzodiazepin-9-one;hydrochloride?
1,2-benzodiazepin-9-one;hydrochloride has a molecular weight of 194.62 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzodiazepin-9-one;hydrochloride is sourced from PubChem (CID 22364300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).