7-methyl-1H-indole-3-carbonitrile

C10H8N2 — CID 34177049

IUPAC7-methyl-1H-indole-3-carbonitrile
SMILESCc1cccc2c(C#N)c[nH]c12
InChIInChI=1S/C10H8N2/c1-7-3-2-4-9-8(5-11)6-12-10(7)9/h2-4,6,12H,1H3
InChIKeyZJFGSZMFDFOICM-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.35
Rot. Bonds

About 7-methyl-1H-indole-3-carbonitrile

7-methyl-1H-indole-3-carbonitrile (PubChem CID 34177049) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 7-methyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-1H-indole-3-carbonitrile
PubChem CID34177049
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name7-methyl-1H-indole-3-carbonitrile
SMILESCc1cccc2c(C#N)c[nH]c12
InChIInChI=1S/C10H8N2/c1-7-3-2-4-9-8(5-11)6-12-10(7)9/h2-4,6,12H,1H3
InChIKeyZJFGSZMFDFOICM-UHFFFAOYSA-N
XLogP2.35
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-indole-3-carbonitrile?
The IUPAC name of 7-methyl-1H-indole-3-carbonitrile (CID 34177049) is 7-methyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-methyl-1H-indole-3-carbonitrile?
The canonical SMILES for 7-methyl-1H-indole-3-carbonitrile is Cc1cccc2c(C#N)c[nH]c12.
What is the InChIKey of 7-methyl-1H-indole-3-carbonitrile?
The InChIKey is ZJFGSZMFDFOICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-7-3-2-4-9-8(5-11)6-12-10(7)9/h2-4,6,12H,1H3.
What are the key properties of 7-methyl-1H-indole-3-carbonitrile?
7-methyl-1H-indole-3-carbonitrile has a molecular weight of 156.19 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 34177049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).