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

C13H10N2O — CID 151759973

IUPAC6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one
SMILESO=C1CC=CC2=C1CN=c1ccccc1=N2
InChIInChI=1S/C13H10N2O/c16-13-7-3-6-10-9(13)8-14-11-4-1-2-5-12(11)15-10/h1-6H,7-8H2
InChIKeyRQITUNUFNUESLB-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.72
Rot. Bonds

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

6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one (PubChem CID 151759973) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one.

Molecular Properties

Compound Name6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one
PubChem CID151759973
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one
SMILESO=C1CC=CC2=C1CN=c1ccccc1=N2
InChIInChI=1S/C13H10N2O/c16-13-7-3-6-10-9(13)8-14-11-4-1-2-5-12(11)15-10/h1-6H,7-8H2
InChIKeyRQITUNUFNUESLB-UHFFFAOYSA-N
XLogP0.72
TPSA41.79 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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one?
The IUPAC name of 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one (CID 151759973) is 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one.
What is the SMILES notation for 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one?
The canonical SMILES for 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one is O=C1CC=CC2=C1CN=c1ccccc1=N2.
What is the InChIKey of 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one?
The InChIKey is RQITUNUFNUESLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-7-3-6-10-9(13)8-14-11-4-1-2-5-12(11)15-10/h1-6H,7-8H2.
What are the key properties of 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one?
6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one has a molecular weight of 210.24 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydrobenzo[b][1,4]benzodiazepin-7-one is sourced from PubChem (CID 151759973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).