3-ethyl-1H-indole-2-carbonitrile

C11H10N2 — CID 89048363

IUPAC3-ethyl-1H-indole-2-carbonitrile
SMILESCCc1c(C#N)[nH]c2ccccc12
InChIInChI=1S/C11H10N2/c1-2-8-9-5-3-4-6-10(9)13-11(8)7-12/h3-6,13H,2H2,1H3
InChIKeyXLRSKJGWQBBAMW-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.60
Rot. Bonds1

About 3-ethyl-1H-indole-2-carbonitrile

3-ethyl-1H-indole-2-carbonitrile (PubChem CID 89048363) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-ethyl-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1H-indole-2-carbonitrile
PubChem CID89048363
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name3-ethyl-1H-indole-2-carbonitrile
SMILESCCc1c(C#N)[nH]c2ccccc12
InChIInChI=1S/C11H10N2/c1-2-8-9-5-3-4-6-10(9)13-11(8)7-12/h3-6,13H,2H2,1H3
InChIKeyXLRSKJGWQBBAMW-UHFFFAOYSA-N
XLogP2.60
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-diethyl-1H-indole;hydrate
CID 70606554
3-methyl-1H-indole-2-carbonitrile
CID 593371
3-iodo-1H-indole-2-carbonitrile
CID 11043753
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-ethyl-2-propyl-1H-indole
CID 65335384
3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile
CID 930999
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
2-benzyl-3-ethyl-1H-indole
CID 13115106
bis(9H-carbazole);propane
CID 90987002
3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile
CID 137083935
2-propoxy-1H-indole-3-carbonitrile
CID 142777137
2-(dimethoxymethyl)-3-ethyl-1H-indole
CID 134907125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-indole-2-carbonitrile?
The IUPAC name of 3-ethyl-1H-indole-2-carbonitrile (CID 89048363) is 3-ethyl-1H-indole-2-carbonitrile.
What is the SMILES notation for 3-ethyl-1H-indole-2-carbonitrile?
The canonical SMILES for 3-ethyl-1H-indole-2-carbonitrile is CCc1c(C#N)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-1H-indole-2-carbonitrile?
The InChIKey is XLRSKJGWQBBAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-8-9-5-3-4-6-10(9)13-11(8)7-12/h3-6,13H,2H2,1H3.
What are the key properties of 3-ethyl-1H-indole-2-carbonitrile?
3-ethyl-1H-indole-2-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-indole-2-carbonitrile is sourced from PubChem (CID 89048363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).