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CHEBI:59970 - 1-butylpyrraline

ChEBI IDCHEBI:59970
ChEBI Name1-butylpyrraline
Stars
DefinitionAn N-substituted pyrraline that is pyrraline in which the hydrogen attached to the pyrrole nitrogen has been replaced by a butyl group.
Last Modified23 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC10H15NO2
Net Charge0
Average Mass181.235
Monoisotopic Mass181.11028
SMILESCCCCn1c(C=O)ccc1CO
InChIInChI=1S/C10H15NO2/c1-2-3-6-11-9(7-12)4-5-10(11)8-13/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyFNDGDKSOMNMMLY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-butylpyrraline (CHEBI:59970) is a N-substituted pyrraline (CHEBI:131546)
IUPAC Name 
1-butyl-5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde
Synonyms  Source
N-butylpyrralineChEBI
1-butyl-5-hydroxymethyl-pyrrole-2-carbaldehydeChEBI
1-Butyl-5-(hydroxymethyl)pyrrol-2-aldehydChEBI
1-Butyl-5-hydroxymethylpyrrol-2-aldehydChEBI
N-butyl-2-formyl-5-hydroxymethyl-pyrroleChEBI
butyl pyrralineChEBI
Registry NumbersSources
Reaxys:1527772Reaxys
Citations