3-Pyrrolidino-1-(3,4-methylenedioxyphenyl)-1-propanone is a very minor pyrrolidine metabolite of safrole produced in vivo after oral or topical use. [1] It's an adduct of 1'-oxosafrole and pyrrolidine.

Chemical Properties

Synonyms: Safrole III
PubChem Compound ID: 147355
Molecular Weight: 247.28968 [g/mol]
Molecular Formula: C14H17NO3
XLogP3-AA: 1.9
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
InChI: InChI=1S/C14H17NO3/c16-12(5-8-15-6-1-2-7-15)11-3-4-13-14(9-11)18-10-17-13/h3-4,9H,1-2,5-8,10H2
Canonical SMILES: C1CCN(C1)CCC(=O)C2=CC3=C(C=C2)OCO3

See Also

1. E.O. Oswald, L. Fishbein, B.J. Corbett, M.P. Walker. Identification of tertiary aminomethylenedioxy-propiophenones as urinary metabolites of safrole in the rat and guinea pig. Biochimica et Biophysica Acta (BBA) - General Subjects, Volume 230, Issue 2, 23 February 1971, Pages 237-247 (web link)
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