1,2-dimethylindole-3-carbonitrile

C11H10N2 — CID 683756

IUPAC1,2-dimethylindole-3-carbonitrile
SMILESCc1c(C#N)c2ccccc2n1C
InChIInChI=1S/C11H10N2/c1-8-10(7-12)9-5-3-4-6-11(9)13(8)2/h3-6H,1-2H3
InChIKeyQWHVKHABWPGMGT-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.36
Rot. Bonds

About 1,2-dimethylindole-3-carbonitrile

1,2-dimethylindole-3-carbonitrile (PubChem CID 683756) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,2-dimethylindole-3-carbonitrile.

Molecular Properties

Compound Name1,2-dimethylindole-3-carbonitrile
PubChem CID683756
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name1,2-dimethylindole-3-carbonitrile
SMILESCc1c(C#N)c2ccccc2n1C
InChIInChI=1S/C11H10N2/c1-8-10(7-12)9-5-3-4-6-11(9)13(8)2/h3-6H,1-2H3
InChIKeyQWHVKHABWPGMGT-UHFFFAOYSA-N
XLogP2.36
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylindole-3-carbonitrile?
The IUPAC name of 1,2-dimethylindole-3-carbonitrile (CID 683756) is 1,2-dimethylindole-3-carbonitrile.
What is the SMILES notation for 1,2-dimethylindole-3-carbonitrile?
The canonical SMILES for 1,2-dimethylindole-3-carbonitrile is Cc1c(C#N)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethylindole-3-carbonitrile?
The InChIKey is QWHVKHABWPGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-8-10(7-12)9-5-3-4-6-11(9)13(8)2/h3-6H,1-2H3.
What are the key properties of 1,2-dimethylindole-3-carbonitrile?
1,2-dimethylindole-3-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylindole-3-carbonitrile is sourced from PubChem (CID 683756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).