3-Indoleacetonitrile (C10H8N2)

Looking for routes to 3-Indoleacetonitrile? 3-Indoleacetonitrile presents a C10 framework, aromatic rings, basic nitrogen. Use the planner with prefilled SMILES, or copy N#CCc1c[nH]c2ccccc12 (CAS 771-51-7).

Target: 3-Indoleacetonitrile
CAS: 771-51-7
Formula: C10H8N2
Approx. MW: 156.19
SMILES: N#CCc1c[nH]c2ccccc12
PubChem CID: 351795
Approx. carbons: C10

3-Indoleacetonitrile structure

Properties

IUPAC name: 2-(1H-indol-3-yl)acetonitrile
Common names: 3-Indoleacetonitrile; 771-51-7; Indole-3-acetonitrile; 2-(1H-indol-3-yl)acetonitrile; 3-Indolylacetonitrile; 1H-Indole-3-acetonitrile; 3-(Cyanomethyl)indole; Indolylacetonitrile; Indoleacetonitrile; Acetonitrile, 3-indolyl-
Molecular weight: 156.18
Exact mass: 156.07
InChIKey: DMCPFOBLJMLSNX-UHFFFAOYSA-N
Melting point: 35 - 37 °C

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3-Indoleacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Indoleacetonitrile?

3-Indoleacetonitrile has molecular formula C10H8N2. Molecular weight about 156.19 g·mol⁻¹.

What is the CAS number of 3-Indoleacetonitrile?

The CAS Registry Number for 3-Indoleacetonitrile is 771-51-7.

Run AI retrosynthesis for 3-Indoleacetonitrile Target catalog AI tools overview

One click loads 3-Indoleacetonitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

p-Phenylenediacetonitrile (+-)-Cotinine 1-(2-Chlorophenyl)piperazine 1-(4-Fluorophenyl)piperazine 1-Methyl-3-phenylpropylamine 2-(4-(Dimethylamino)phenyl)ethanol

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.