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CHEBI:234466 - 3',4'-methylenedioxy-α-pyrrolidinobutiophenone

Default Structure
ChEBI IDCHEBI:234466
ChEBI Name3',4'-methylenedioxy-α-pyrrolidinobutiophenone
Stars
ASCII Name3',4'-methylenedioxy-alpha-pyrrolidinobutiophenone
DefinitionA member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(pyrrolidin-1-yl)butanoyl group at position 5. It is a designer drug.
Last Modified18 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC15H19NO3
Net Charge0
Average Mass261.321
Monoisotopic Mass261.13649
SMILESCCC(C(=O)c1ccc2c(c1)OCO2)N1CCCC1
InChIInChI=1S/C15H19NO3/c1-2-12(16-7-3-4-8-16)15(17)11-5-6-13-14(9-11)19-10-18-13/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyOLVLMDVPMCIBQW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
psychotropic drug  A loosely defined grouping of drugs that have effects on psychological function.
ChEBI Ontology
Outgoing Relation(s)
3',4'-methylenedioxy-α-pyrrolidinobutiophenone (CHEBI:234466) has role psychotropic drug (CHEBI:35471)
3',4'-methylenedioxy-α-pyrrolidinobutiophenone (CHEBI:234466) is a N-alkylpyrrolidine (CHEBI:46775)
3',4'-methylenedioxy-α-pyrrolidinobutiophenone (CHEBI:234466) is a benzodioxoles (CHEBI:38298)
3',4'-methylenedioxy-α-pyrrolidinobutiophenone (CHEBI:234466) is a ketone (CHEBI:17087)
IUPAC Name 
1-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-yl)butan-1-one
Synonyms  Source
1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-butanoneChEBI
1-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-yl)butan-1-oneIUPAC
1-(3,4-methylenedioxyphenyl)-2-(1-pyrrolidinyl)-1-butanoneChEBI
3,4-methylenedioxy-α-pyrrolidinobutiophenoneChEBI
3,4-methylenedioxy-α-pyrrolidinobutyrophenoneChEBI
3',4'-methylenedioxy-α-pyrrolidinobutyrophenoneChEBI
Manual XrefsDatabases
3%27,4%27-Methylenedioxy-%CE%B1-pyrrolidinobutiophenoneWikipedia
Registry NumbersSources
CAS:784985-33-7ChEBI
Citations