9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

C19H16N2O — CID 2981258

IUPAC9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
SMILESO=C1CC(c2ccccc2)CC2=C1C=Nc1ccccc1N2
InChIInChI=1S/C19H16N2O/c22-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-20-16-8-4-5-9-17(16)21-18/h1-9,12,14,21H,10-11H2
InChIKeyAVZHPRSGDWHVBF-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.22
Rot. Bonds1

About 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one (PubChem CID 2981258) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.

Molecular Properties

Compound Name9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
PubChem CID2981258
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
SMILESO=C1CC(c2ccccc2)CC2=C1C=Nc1ccccc1N2
InChIInChI=1S/C19H16N2O/c22-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-20-16-8-4-5-9-17(16)21-18/h1-9,12,14,21H,10-11H2
InChIKeyAVZHPRSGDWHVBF-UHFFFAOYSA-N
XLogP4.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
The IUPAC name of 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one (CID 2981258) is 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
What is the SMILES notation for 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
The canonical SMILES for 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one is O=C1CC(c2ccccc2)CC2=C1C=Nc1ccccc1N2.
What is the InChIKey of 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
The InChIKey is AVZHPRSGDWHVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-20-16-8-4-5-9-17(16)21-18/h1-9,12,14,21H,10-11H2.
What are the key properties of 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one?
9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one has a molecular weight of 288.35 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one is sourced from PubChem (CID 2981258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).