2-(4-methylphenyl)-3H-indole-6-carbonitrile

C16H12N2 — CID 67596128

IUPAC2-(4-methylphenyl)-3H-indole-6-carbonitrile
SMILESCc1ccc(C2=Nc3cc(C#N)ccc3C2)cc1
InChIInChI=1S/C16H12N2/c1-11-2-5-13(6-3-11)16-9-14-7-4-12(10-17)8-15(14)18-16/h2-8H,9H2,1H3
InChIKeyXCTGIFNWVBALKT-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.54
Rot. Bonds1

About 2-(4-methylphenyl)-3H-indole-6-carbonitrile

2-(4-methylphenyl)-3H-indole-6-carbonitrile (PubChem CID 67596128) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3H-indole-6-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-3H-indole-6-carbonitrile
PubChem CID67596128
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name2-(4-methylphenyl)-3H-indole-6-carbonitrile
SMILESCc1ccc(C2=Nc3cc(C#N)ccc3C2)cc1
InChIInChI=1S/C16H12N2/c1-11-2-5-13(6-3-11)16-9-14-7-4-12(10-17)8-15(14)18-16/h2-8H,9H2,1H3
InChIKeyXCTGIFNWVBALKT-UHFFFAOYSA-N
XLogP3.54
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3H-indole-6-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-3H-indole-6-carbonitrile (CID 67596128) is 2-(4-methylphenyl)-3H-indole-6-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-3H-indole-6-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-3H-indole-6-carbonitrile is Cc1ccc(C2=Nc3cc(C#N)ccc3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3H-indole-6-carbonitrile?
The InChIKey is XCTGIFNWVBALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-11-2-5-13(6-3-11)16-9-14-7-4-12(10-17)8-15(14)18-16/h2-8H,9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3H-indole-6-carbonitrile?
2-(4-methylphenyl)-3H-indole-6-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3H-indole-6-carbonitrile is sourced from PubChem (CID 67596128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).