5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile

C15H10N2O — CID 11031795

IUPAC5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile
SMILESN#CC1C(=O)c2ccccc2Nc2ccccc21
InChIInChI=1S/C15H10N2O/c16-9-12-10-5-1-3-7-13(10)17-14-8-4-2-6-11(14)15(12)18/h1-8,12,17H
InChIKeyOZXFNWPZRZATNT-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.23
Rot. Bonds

About 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile

5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile (PubChem CID 11031795) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile.

Molecular Properties

Compound Name5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile
PubChem CID11031795
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile
SMILESN#CC1C(=O)c2ccccc2Nc2ccccc21
InChIInChI=1S/C15H10N2O/c16-9-12-10-5-1-3-7-13(10)17-14-8-4-2-6-11(14)15(12)18/h1-8,12,17H
InChIKeyOZXFNWPZRZATNT-UHFFFAOYSA-N
XLogP3.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile?
The IUPAC name of 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile (CID 11031795) is 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile.
What is the SMILES notation for 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile?
The canonical SMILES for 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile is N#CC1C(=O)c2ccccc2Nc2ccccc21.
What is the InChIKey of 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile?
The InChIKey is OZXFNWPZRZATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-9-12-10-5-1-3-7-13(10)17-14-8-4-2-6-11(14)15(12)18/h1-8,12,17H.
What are the key properties of 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile?
5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile is sourced from PubChem (CID 11031795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).