1.0 2010-04-08 22:07:13 UTC 2025-11-18 23:02:20 UTC FDB006604 2-trans-8-trans-Piperamide-C-9-2 2-trans-8-trans-piperamide-c-9-2 is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. 2-trans-8-trans-piperamide-c-9-2 is practically insoluble (in water) and a moderately basic compound (based on its pKa). 2-trans-8-trans-piperamide-c-9-2 can be found in pepper (spice), which makes 2-trans-8-trans-piperamide-c-9-2 a potential biomarker for the consumption of this food product. C20H25NO3 327.4174 327.183443671 (2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,8-dien-1-one (2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,8-dien-1-one O=C(\C=C\CCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCC1 InChI=1S/C20H25NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5-6,9-12,15H,1-4,7-8,13-14,16H2/b9-5+,10-6+ BYKNKNBUHGFXQF-NXZHAISVSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives N-acylpyrrolidines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Styrenes Tertiary carboxylic acid amides Acetal Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrolidine Styrene Tertiary carboxylic acid amide benzodioxoles logp 4.49 ALOGPS logs -4.86 ALOGPS solubility 4.55e-03 g/l ALOGPS logp 4.11 ChemAxon pka_strongest_basic 2.17 ChemAxon iupac (2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,8-dien-1-one ChemAxon average_mass 327.4174 ChemAxon mono_mass 327.183443671 ChemAxon smiles O=C(\C=C\CCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCC1 ChemAxon formula C20H25NO3 ChemAxon inchi InChI=1S/C20H25NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5-6,9-12,15H,1-4,7-8,13-14,16H2/b9-5+,10-6+ ChemAxon inchikey BYKNKNBUHGFXQF-NXZHAISVSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 96.71 ChemAxon polarizability 38.59 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85032 Specdb::MsMs 85033 Specdb::MsMs 85034 Specdb::MsMs 147027 Specdb::MsMs 147028 Specdb::MsMs 147029 Specdb::MsMs 3603125 Specdb::MsMs 3603126 Specdb::MsMs 3603127 Specdb::MsMs 3603128 Specdb::MsMs 3603129 Specdb::MsMs 3603130 Pepper (Spice) Type 1 specific Piper nigrum 13216