2-ethyl-3H-indole-5-carbonitrile

C11H10N2 — CID 166788571

IUPAC2-ethyl-3H-indole-5-carbonitrile
SMILESCCC1=Nc2ccc(C#N)cc2C1
InChIInChI=1S/C11H10N2/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3-5H,2,6H2,1H3
InChIKeyAYGBZZHDEHPLAG-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.60
Rot. Bonds1

About 2-ethyl-3H-indole-5-carbonitrile

2-ethyl-3H-indole-5-carbonitrile (PubChem CID 166788571) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-ethyl-3H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-ethyl-3H-indole-5-carbonitrile
PubChem CID166788571
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-ethyl-3H-indole-5-carbonitrile
SMILESCCC1=Nc2ccc(C#N)cc2C1
InChIInChI=1S/C11H10N2/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3-5H,2,6H2,1H3
InChIKeyAYGBZZHDEHPLAG-UHFFFAOYSA-N
XLogP2.60
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diethyl-3H-indole
CID 89025789
4-chloro-11H-[1,4]diazepino[2,3-b]quinoline-9-carbonitrile
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2-(4-methylphenyl)-3H-indole-6-carbonitrile
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1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile
CID 69199338
7-ethylnaphthalene-2-carbonitrile
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4-(chloromethyl)-3-ethylbenzonitrile
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3-ethyl-4-(hydroxymethyl)benzonitrile
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tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile
CID 102170033
1-ethyl-3,4-dihydro-1H-isochromene-6-carbonitrile
CID 91095644
4-ethylbenzonitrile;fluoromethane
CID 143083977
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
5-hydroxy-5-methyl-7,8-dihydro-6H-naphthalene-2-carbonitrile
CID 102408738

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-indole-5-carbonitrile?
The IUPAC name of 2-ethyl-3H-indole-5-carbonitrile (CID 166788571) is 2-ethyl-3H-indole-5-carbonitrile.
What is the SMILES notation for 2-ethyl-3H-indole-5-carbonitrile?
The canonical SMILES for 2-ethyl-3H-indole-5-carbonitrile is CCC1=Nc2ccc(C#N)cc2C1.
What is the InChIKey of 2-ethyl-3H-indole-5-carbonitrile?
The InChIKey is AYGBZZHDEHPLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-10-6-9-5-8(7-12)3-4-11(9)13-10/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethyl-3H-indole-5-carbonitrile?
2-ethyl-3H-indole-5-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-indole-5-carbonitrile is sourced from PubChem (CID 166788571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).