3-indoleacetonitrile synonyms

Indoleacetonitrile; 1H-indol-3-ylacetonitrile; 3-(Cyanomethyl)indole; Indole-3-acetonitrile; Indolylacetonitrile; (Indol-3-yl)acetonitrile; 3-indolylacetonitrile; 3-Indolacetonitrile; 3-(cyanomethyl)indole; (3-Indolyl)acetonitrile; (Indole-3-yl)acetonitrile


Graphical representations:


View large 3D structure

Molecular Formula: C10H8N2

Natural Isotopic Abundance Mass: 156.18392

Mono-Isotopic Molecular Masses:

  • C12N14: 156.0687482672
  • C13N14: 166.1022966452
  • C12N15: 158.0628180536
  • C13N15: 168.0963664316

InChI string: InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2

PubChem Compound (CID): 351795
CAS Registry number: 771-51-7
Sigma-Aldrich: 129453_ALDRICH
ChEBI: CHEBI:17566
ZINC: ZINC00163492
ChemIDplus: 000771517
ChemSpider: 312357
EINECS: 212-232-1
CCRIS: 5807
KEGG Compound ID: C02938
Beilstein Handbook Reference: 5-22-03-00074
ChemDB: 4733733
DTP/NCI: 523272
NIST Chemistry WebBook: 2601148749
MMCD: cq_01770
MDL: MFCD00005628

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)