2-(2-methylphenyl)-1H-indole-5-carbonitrile

C16H12N2 — CID 156814212

IUPAC2-(2-methylphenyl)-1H-indole-5-carbonitrile
SMILESCc1ccccc1-c1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C16H12N2/c1-11-4-2-3-5-14(11)16-9-13-8-12(10-17)6-7-15(13)18-16/h2-9,18H,1H3
InChIKeyZCFXZNQRFHQWCO-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.01
Rot. Bonds1

About 2-(2-methylphenyl)-1H-indole-5-carbonitrile

2-(2-methylphenyl)-1H-indole-5-carbonitrile (PubChem CID 156814212) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)-1H-indole-5-carbonitrile
PubChem CID156814212
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name2-(2-methylphenyl)-1H-indole-5-carbonitrile
SMILESCc1ccccc1-c1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C16H12N2/c1-11-4-2-3-5-14(11)16-9-13-8-12(10-17)6-7-15(13)18-16/h2-9,18H,1H3
InChIKeyZCFXZNQRFHQWCO-UHFFFAOYSA-N
XLogP4.01
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1H-indole-5-carbonitrile?
The IUPAC name of 2-(2-methylphenyl)-1H-indole-5-carbonitrile (CID 156814212) is 2-(2-methylphenyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-(2-methylphenyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 2-(2-methylphenyl)-1H-indole-5-carbonitrile is Cc1ccccc1-c1cc2cc(C#N)ccc2[nH]1.
What is the InChIKey of 2-(2-methylphenyl)-1H-indole-5-carbonitrile?
The InChIKey is ZCFXZNQRFHQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-11-4-2-3-5-14(11)16-9-13-8-12(10-17)6-7-15(13)18-16/h2-9,18H,1H3.
What are the key properties of 2-(2-methylphenyl)-1H-indole-5-carbonitrile?
2-(2-methylphenyl)-1H-indole-5-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 156814212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).