9H-2-benzazepine-8-carbonitrile

C11H8N2 — CID 69285983

IUPAC9H-2-benzazepine-8-carbonitrile
SMILESN#CC1=CC=C2C=CC=NC=C2C1
InChIInChI=1S/C11H8N2/c12-7-9-3-4-10-2-1-5-13-8-11(10)6-9/h1-5,8H,6H2
InChIKeyWPDIMEAPTCJZLA-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.29
Rot. Bonds

About 9H-2-benzazepine-8-carbonitrile

9H-2-benzazepine-8-carbonitrile (PubChem CID 69285983) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 9H-2-benzazepine-8-carbonitrile.

Molecular Properties

Compound Name9H-2-benzazepine-8-carbonitrile
PubChem CID69285983
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name9H-2-benzazepine-8-carbonitrile
SMILESN#CC1=CC=C2C=CC=NC=C2C1
InChIInChI=1S/C11H8N2/c12-7-9-3-4-10-2-1-5-13-8-11(10)6-9/h1-5,8H,6H2
InChIKeyWPDIMEAPTCJZLA-UHFFFAOYSA-N
XLogP2.29
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-2-benzazepine-8-carbonitrile?
The IUPAC name of 9H-2-benzazepine-8-carbonitrile (CID 69285983) is 9H-2-benzazepine-8-carbonitrile.
What is the SMILES notation for 9H-2-benzazepine-8-carbonitrile?
The canonical SMILES for 9H-2-benzazepine-8-carbonitrile is N#CC1=CC=C2C=CC=NC=C2C1.
What is the InChIKey of 9H-2-benzazepine-8-carbonitrile?
The InChIKey is WPDIMEAPTCJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c12-7-9-3-4-10-2-1-5-13-8-11(10)6-9/h1-5,8H,6H2.
What are the key properties of 9H-2-benzazepine-8-carbonitrile?
9H-2-benzazepine-8-carbonitrile has a molecular weight of 168.20 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-2-benzazepine-8-carbonitrile is sourced from PubChem (CID 69285983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).