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CHEBI:59975 - 1-neopentylpyrraline

ChEBI IDCHEBI:59975
ChEBI Name1-neopentylpyrraline
Stars
DefinitionAn N-substituted pyrraline that is pyrraline in which the hydrogen attached to the pyrrole nitrogen has been replaced by a neopentyl (2,2-dimethylpropyl) group.
Last Modified23 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC11H17NO2
Net Charge0
Average Mass195.262
Monoisotopic Mass195.12593
SMILESCC(C)(C)Cn1c(C=O)ccc1CO
InChIInChI=1S/C11H17NO2/c1-11(2,3)8-12-9(6-13)4-5-10(12)7-14/h4-6,14H,7-8H2,1-3H3
InChIKeyWGSAYGPQJMOJFV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-neopentylpyrraline (CHEBI:59975) is a N-substituted pyrraline (CHEBI:131546)
IUPAC Name 
1-(2,2-dimethylpropyl)-5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde
Synonym  Source
5-hydroxymethyl-1-neopentylpyrrole-2-carbaldehydeChEBI
Registry NumbersSources
Reaxys:5928260Reaxys
Citations