benzo[d][2,3]benzodiazepin-11-one

C13H8N2O — CID 22390468

IUPACbenzo[d][2,3]benzodiazepin-11-one
SMILESO=c1cccc2cnnc3ccccc3c1-2
InChIInChI=1S/C13H8N2O/c16-12-7-3-4-9-8-14-15-11-6-2-1-5-10(11)13(9)12/h1-8H
InChIKeyTXOCZBUVHWNSFJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.09
Rot. Bonds

About benzo[d][2,3]benzodiazepin-11-one

benzo[d][2,3]benzodiazepin-11-one (PubChem CID 22390468) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is benzo[d][2,3]benzodiazepin-11-one.

Molecular Properties

Compound Namebenzo[d][2,3]benzodiazepin-11-one
PubChem CID22390468
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Namebenzo[d][2,3]benzodiazepin-11-one
SMILESO=c1cccc2cnnc3ccccc3c1-2
InChIInChI=1S/C13H8N2O/c16-12-7-3-4-9-8-14-15-11-6-2-1-5-10(11)13(9)12/h1-8H
InChIKeyTXOCZBUVHWNSFJ-UHFFFAOYSA-N
XLogP2.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzo[d][2,3]benzodiazepin-11-one?
The IUPAC name of benzo[d][2,3]benzodiazepin-11-one (CID 22390468) is benzo[d][2,3]benzodiazepin-11-one.
What is the SMILES notation for benzo[d][2,3]benzodiazepin-11-one?
The canonical SMILES for benzo[d][2,3]benzodiazepin-11-one is O=c1cccc2cnnc3ccccc3c1-2.
What is the InChIKey of benzo[d][2,3]benzodiazepin-11-one?
The InChIKey is TXOCZBUVHWNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c16-12-7-3-4-9-8-14-15-11-6-2-1-5-10(11)13(9)12/h1-8H.
What are the key properties of benzo[d][2,3]benzodiazepin-11-one?
benzo[d][2,3]benzodiazepin-11-one has a molecular weight of 208.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][2,3]benzodiazepin-11-one is sourced from PubChem (CID 22390468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).