1-methylindole-3-carbonitrile

C10H8N2 — CID 2307681

IUPAC1-methylindole-3-carbonitrile
SMILESCn1cc(C#N)c2ccccc21
InChIInChI=1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3
InChIKeyFBAXZPMXGBNBPE-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.05
Rot. Bonds

About 1-methylindole-3-carbonitrile

1-methylindole-3-carbonitrile (PubChem CID 2307681) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name1-methylindole-3-carbonitrile
PubChem CID2307681
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name1-methylindole-3-carbonitrile
SMILESCn1cc(C#N)c2ccccc21
InChIInChI=1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3
InChIKeyFBAXZPMXGBNBPE-UHFFFAOYSA-N
XLogP2.05
TPSA28.72 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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylindole-3-carbonitrile?
The IUPAC name of 1-methylindole-3-carbonitrile (CID 2307681) is 1-methylindole-3-carbonitrile.
What is the SMILES notation for 1-methylindole-3-carbonitrile?
The canonical SMILES for 1-methylindole-3-carbonitrile is Cn1cc(C#N)c2ccccc21.
What is the InChIKey of 1-methylindole-3-carbonitrile?
The InChIKey is FBAXZPMXGBNBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3.
What are the key properties of 1-methylindole-3-carbonitrile?
1-methylindole-3-carbonitrile has a molecular weight of 156.19 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-3-carbonitrile is sourced from PubChem (CID 2307681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).