3H-indole-2-carbonitrile

C9H6N2 — CID 66725406

IUPAC3H-indole-2-carbonitrile
SMILESN#CC1=Nc2ccccc2C1
InChIInChI=1S/C9H6N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4H,5H2
InChIKeyGALGYFBCCIASIY-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.84
Rot. Bonds

About 3H-indole-2-carbonitrile

3H-indole-2-carbonitrile (PubChem CID 66725406) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3H-indole-2-carbonitrile.

Molecular Properties

Compound Name3H-indole-2-carbonitrile
PubChem CID66725406
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Name3H-indole-2-carbonitrile
SMILESN#CC1=Nc2ccccc2C1
InChIInChI=1S/C9H6N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4H,5H2
InChIKeyGALGYFBCCIASIY-UHFFFAOYSA-N
XLogP1.84
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3H-indole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3H-indole-2-carbonitrile?
The IUPAC name of 3H-indole-2-carbonitrile (CID 66725406) is 3H-indole-2-carbonitrile.
What is the SMILES notation for 3H-indole-2-carbonitrile?
The canonical SMILES for 3H-indole-2-carbonitrile is N#CC1=Nc2ccccc2C1.
What is the InChIKey of 3H-indole-2-carbonitrile?
The InChIKey is GALGYFBCCIASIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4H,5H2.
What are the key properties of 3H-indole-2-carbonitrile?
3H-indole-2-carbonitrile has a molecular weight of 142.16 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indole-2-carbonitrile is sourced from PubChem (CID 66725406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).