EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140654 - 3-[(E)-2-isocyanovinyl]indole

ChEBI IDCHEBI:140654
ChEBI Name3-[(E)-2-isocyanovinyl]indole
Stars
ASCII Name3-[(E)-2-isocyanovinyl]indole
DefinitionA 3-(2-isocyanovinyl)indole in which the double bond of the isocyanovinyl group has E (trans-) configuration.
Last Modified29 July 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H8N2
Net Charge0
Average Mass168.199
Monoisotopic Mass168.06875
SMILES[C-]#[N+]/C=C/c1cnc2ccccc12
InChIInChI=1S/C11H8N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-8,13H/b7-6+
InChIKeyJQMYMZZLIOIXEO-VOTSOKGWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(E)-2-isocyanovinyl]indole (CHEBI:140654) is a 3-(2-isocyanovinyl)indole (CHEBI:144370)
Synonyms  Source
(E)-2-(1H-indol-3-yl)vinyl isocyanideChEBI
(E) indolyl vinyl isonitrileChEBI
3-[(E)-2-isocyanoethenyl]-1H-indoleChEBI
trans-indolyl vinyl isonitrileChEBI
UniProt Name  Source
3-[(E)-2-isocyanovinyl]indoleUniProt
Manual XrefsDatabases
CPD-20765MetaCyc
Citations