7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one

C13H10N2O — CID 68715261

IUPAC7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESO=c1nc2ccccc2nc2c1CCC=C2
InChIInChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h2-4,6-8H,1,5H2
InChIKeyFKYRATZIFPBPGO-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.95
Rot. Bonds

About 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one

7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one (PubChem CID 68715261) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one
PubChem CID68715261
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESO=c1nc2ccccc2nc2c1CCC=C2
InChIInChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h2-4,6-8H,1,5H2
InChIKeyFKYRATZIFPBPGO-UHFFFAOYSA-N
XLogP1.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propylindol-2-one
CID 53932850
3H-cyclopenta[c][1,5]benzodiazepin-4-one
CID 67767526
3-(3-Iodopropyl)-1-benzazepin-2-one
CID 87411069
7H-carbazole-1-carboxamide
CID 87727516
7,8-Dihydrobenzo[b][1,4]benzodiazepin-6-one;hydrochloride
CID 140355424
6,8-Dihydrobenzo[b][1,4]benzodiazepin-7-one
CID 151759973
4H-benzo[c][1]benzazepine-3-carboxamide
CID 153324479
5-methyl-7H-carbazole-4-carboxamide
CID 154037581
7,8-Dihydrobenzo[b][1]benzazepin-6-one
CID 154231237
Pyrrolo[3,2-a]carbazole-1,2-dione
CID 158316028
9,10-Dihydrocyclohepta[b]indole-4-carboxamide
CID 167434467
5-Prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one
CID 172857617

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The IUPAC name of 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one (CID 68715261) is 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The canonical SMILES for 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one is O=c1nc2ccccc2nc2c1CCC=C2.
What is the InChIKey of 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The InChIKey is FKYRATZIFPBPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h2-4,6-8H,1,5H2.
What are the key properties of 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one?
7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one has a molecular weight of 210.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrobenzo[b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 68715261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).