11H-benzo[d][1]benzazepine-6-carbonitrile

C15H10N2 — CID 71306945

IUPAC11H-benzo[d][1]benzazepine-6-carbonitrile
SMILESN#CC1=CC2=CC=CCC2=c2ccccc2=N1
InChIInChI=1S/C15H10N2/c16-10-12-9-11-5-1-2-6-13(11)14-7-3-4-8-15(14)17-12/h1-5,7-9H,6H2
InChIKeyASNNXEWFFBOOMR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.76
Rot. Bonds

About 11H-benzo[d][1]benzazepine-6-carbonitrile

11H-benzo[d][1]benzazepine-6-carbonitrile (PubChem CID 71306945) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 11H-benzo[d][1]benzazepine-6-carbonitrile.

Molecular Properties

Compound Name11H-benzo[d][1]benzazepine-6-carbonitrile
PubChem CID71306945
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name11H-benzo[d][1]benzazepine-6-carbonitrile
SMILESN#CC1=CC2=CC=CCC2=c2ccccc2=N1
InChIInChI=1S/C15H10N2/c16-10-12-9-11-5-1-2-6-13(11)14-7-3-4-8-15(14)17-12/h1-5,7-9H,6H2
InChIKeyASNNXEWFFBOOMR-UHFFFAOYSA-N
XLogP1.76
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[d][1]benzazepine-6-carbonitrile?
The IUPAC name of 11H-benzo[d][1]benzazepine-6-carbonitrile (CID 71306945) is 11H-benzo[d][1]benzazepine-6-carbonitrile.
What is the SMILES notation for 11H-benzo[d][1]benzazepine-6-carbonitrile?
The canonical SMILES for 11H-benzo[d][1]benzazepine-6-carbonitrile is N#CC1=CC2=CC=CCC2=c2ccccc2=N1.
What is the InChIKey of 11H-benzo[d][1]benzazepine-6-carbonitrile?
The InChIKey is ASNNXEWFFBOOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-10-12-9-11-5-1-2-6-13(11)14-7-3-4-8-15(14)17-12/h1-5,7-9H,6H2.
What are the key properties of 11H-benzo[d][1]benzazepine-6-carbonitrile?
11H-benzo[d][1]benzazepine-6-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[d][1]benzazepine-6-carbonitrile is sourced from PubChem (CID 71306945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).