benzo[c][1]benzoxepine-2-carbonitrile

C15H9NO — CID 23316439

IUPACbenzo[c][1]benzoxepine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C=c1ccccc1=CO2
InChIInChI=1S/C15H9NO/c16-9-11-5-6-15-14(7-11)8-12-3-1-2-4-13(12)10-17-15/h1-8,10H
InChIKeyJOBSAUVPQVWFHT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.52
Rot. Bonds

About benzo[c][1]benzoxepine-2-carbonitrile

benzo[c][1]benzoxepine-2-carbonitrile (PubChem CID 23316439) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is benzo[c][1]benzoxepine-2-carbonitrile.

Molecular Properties

Compound Namebenzo[c][1]benzoxepine-2-carbonitrile
PubChem CID23316439
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Namebenzo[c][1]benzoxepine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C=c1ccccc1=CO2
InChIInChI=1S/C15H9NO/c16-9-11-5-6-15-14(7-11)8-12-3-1-2-4-13(12)10-17-15/h1-8,10H
InChIKeyJOBSAUVPQVWFHT-UHFFFAOYSA-N
XLogP1.52
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[c][1]benzoxepine-2-carbonitrile?
The IUPAC name of benzo[c][1]benzoxepine-2-carbonitrile (CID 23316439) is benzo[c][1]benzoxepine-2-carbonitrile.
What is the SMILES notation for benzo[c][1]benzoxepine-2-carbonitrile?
The canonical SMILES for benzo[c][1]benzoxepine-2-carbonitrile is N#Cc1ccc2c(c1)C=c1ccccc1=CO2.
What is the InChIKey of benzo[c][1]benzoxepine-2-carbonitrile?
The InChIKey is JOBSAUVPQVWFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c16-9-11-5-6-15-14(7-11)8-12-3-1-2-4-13(12)10-17-15/h1-8,10H.
What are the key properties of benzo[c][1]benzoxepine-2-carbonitrile?
benzo[c][1]benzoxepine-2-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c][1]benzoxepine-2-carbonitrile is sourced from PubChem (CID 23316439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).