2-methyl-2H-indole-5-carbonitrile

C10H8N2 — CID 173040522

IUPAC2-methyl-2H-indole-5-carbonitrile
SMILESCC1C=c2cc(C#N)ccc2=N1
InChIInChI=1S/C10H8N2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5,7H,1H3
InChIKeyKGLUFGXGFFZPCC-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.36
Rot. Bonds

About 2-methyl-2H-indole-5-carbonitrile

2-methyl-2H-indole-5-carbonitrile (PubChem CID 173040522) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methyl-2H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-2H-indole-5-carbonitrile
PubChem CID173040522
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name2-methyl-2H-indole-5-carbonitrile
SMILESCC1C=c2cc(C#N)ccc2=N1
InChIInChI=1S/C10H8N2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5,7H,1H3
InChIKeyKGLUFGXGFFZPCC-UHFFFAOYSA-N
XLogP0.36
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-indole-5-carbonitrile?
The IUPAC name of 2-methyl-2H-indole-5-carbonitrile (CID 173040522) is 2-methyl-2H-indole-5-carbonitrile.
What is the SMILES notation for 2-methyl-2H-indole-5-carbonitrile?
The canonical SMILES for 2-methyl-2H-indole-5-carbonitrile is CC1C=c2cc(C#N)ccc2=N1.
What is the InChIKey of 2-methyl-2H-indole-5-carbonitrile?
The InChIKey is KGLUFGXGFFZPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5,7H,1H3.
What are the key properties of 2-methyl-2H-indole-5-carbonitrile?
2-methyl-2H-indole-5-carbonitrile has a molecular weight of 156.19 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-indole-5-carbonitrile is sourced from PubChem (CID 173040522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).