1,5-benzodiazepin-2-one;hydrochloride

C9H7ClN2O — CID 162327035

IUPAC1,5-benzodiazepin-2-one;hydrochloride
SMILESCl.O=c1ccnc2ccccc2n1
InChIInChI=1S/C9H6N2O.ClH/c12-9-5-6-10-7-3-1-2-4-8(7)11-9;/h1-6H;1H
InChIKeyHVQZFNBBBPZHAU-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.41
Rot. Bonds

About 1,5-benzodiazepin-2-one;hydrochloride

1,5-benzodiazepin-2-one;hydrochloride (PubChem CID 162327035) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1,5-benzodiazepin-2-one;hydrochloride.

Molecular Properties

Compound Name1,5-benzodiazepin-2-one;hydrochloride
PubChem CID162327035
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1,5-benzodiazepin-2-one;hydrochloride
SMILESCl.O=c1ccnc2ccccc2n1
InChIInChI=1S/C9H6N2O.ClH/c12-9-5-6-10-7-3-1-2-4-8(7)11-9;/h1-6H;1H
InChIKeyHVQZFNBBBPZHAU-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-benzodiazepin-2-one;hydrochloride?
The IUPAC name of 1,5-benzodiazepin-2-one;hydrochloride (CID 162327035) is 1,5-benzodiazepin-2-one;hydrochloride.
What is the SMILES notation for 1,5-benzodiazepin-2-one;hydrochloride?
The canonical SMILES for 1,5-benzodiazepin-2-one;hydrochloride is Cl.O=c1ccnc2ccccc2n1.
What is the InChIKey of 1,5-benzodiazepin-2-one;hydrochloride?
The InChIKey is HVQZFNBBBPZHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O.ClH/c12-9-5-6-10-7-3-1-2-4-8(7)11-9;/h1-6H;1H.
What are the key properties of 1,5-benzodiazepin-2-one;hydrochloride?
1,5-benzodiazepin-2-one;hydrochloride has a molecular weight of 194.62 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-benzodiazepin-2-one;hydrochloride is sourced from PubChem (CID 162327035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).