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

C16H12N2 — CID 174335464

IUPAC1-(2-methylphenyl)indole-5-carbonitrile
SMILESCc1ccccc1-n1ccc2cc(C#N)ccc21
InChIInChI=1S/C16H12N2/c1-12-4-2-3-5-15(12)18-9-8-14-10-13(11-17)6-7-16(14)18/h2-10H,1H3
InChIKeyXOQIZXZXCQBDQA-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.81
Rot. Bonds1

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

1-(2-methylphenyl)indole-5-carbonitrile (PubChem CID 174335464) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(2-methylphenyl)indole-5-carbonitrile
PubChem CID174335464
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name1-(2-methylphenyl)indole-5-carbonitrile
SMILESCc1ccccc1-n1ccc2cc(C#N)ccc21
InChIInChI=1S/C16H12N2/c1-12-4-2-3-5-15(12)18-9-8-14-10-13(11-17)6-7-16(14)18/h2-10H,1H3
InChIKeyXOQIZXZXCQBDQA-UHFFFAOYSA-N
XLogP3.81
TPSA28.72 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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile
CID 178051646
1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile
CID 121360326
methyl (E)-3-[1-(2-methylphenyl)indol-5-yl]prop-2-enoate
CID 154926307
1-(2-methylphenyl)indole-2-carbonitrile
CID 174595640
3-(5-methoxyindol-1-yl)benzonitrile
CID 13324712
1-(2-methylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 115040094
(5-cyano-1-methylindol-2-yl)methyl-triphenylphosphanium
CID 21251543
methyl 5-cyanoindole-1-carboxylate
CID 15422551
3-(benzotriazol-2-yl)-4-methylbenzonitrile
CID 142154128
3-(2,5-dihydropyrrol-1-yl)-4-methylbenzonitrile
CID 79686863
3-[5-(5-cyanoindol-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 66859111
1-(2-anilinoethyl)indole-5-carbonitrile
CID 107920038

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)indole-5-carbonitrile?
The IUPAC name of 1-(2-methylphenyl)indole-5-carbonitrile (CID 174335464) is 1-(2-methylphenyl)indole-5-carbonitrile.
What is the SMILES notation for 1-(2-methylphenyl)indole-5-carbonitrile?
The canonical SMILES for 1-(2-methylphenyl)indole-5-carbonitrile is Cc1ccccc1-n1ccc2cc(C#N)ccc21.
What is the InChIKey of 1-(2-methylphenyl)indole-5-carbonitrile?
The InChIKey is XOQIZXZXCQBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-12-4-2-3-5-15(12)18-9-8-14-10-13(11-17)6-7-16(14)18/h2-10H,1H3.
What are the key properties of 1-(2-methylphenyl)indole-5-carbonitrile?
1-(2-methylphenyl)indole-5-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)indole-5-carbonitrile is sourced from PubChem (CID 174335464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).