1.0 2010-04-08 22:07:13 UTC 2025-11-18 23:02:22 UTC FDB006611 8-trans-Piperamide-C-9-1 8-trans-piperamide-c-9-1 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. 8-trans-piperamide-c-9-1 is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 8-trans-piperamide-c-9-1 can be found in pepper (spice), which makes 8-trans-piperamide-c-9-1 a potential biomarker for the consumption of this food product. C20H27NO3 329.4333 329.199093735 (8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one (8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one O=C(CCCCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCC1 InChI=1S/C20H27NO3/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/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+ VBHDFZGBKBFFDM-WEVVVXLNSA-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 4.71 ALOGPS logs -4.52 ALOGPS solubility 1.00e-02 g/l ALOGPS logp 4.11 ChemAxon pka_strongest_basic 0.12 ChemAxon iupac (8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one ChemAxon average_mass 329.4333 ChemAxon mono_mass 329.199093735 ChemAxon smiles O=C(CCCCCC\C=C\C1=CC=C2OCOC2=C1)N1CCCC1 ChemAxon formula C20H27NO3 ChemAxon inchi InChI=1S/C20H27NO3/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/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2/b9-5+ ChemAxon inchikey VBHDFZGBKBFFDM-WEVVVXLNSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 95.61 ChemAxon polarizability 39.09 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54561 Specdb::MsMs 54562 Specdb::MsMs 54563 Specdb::MsMs 149481 Specdb::MsMs 149482 Specdb::MsMs 149483 Specdb::MsMs 3603152 Specdb::MsMs 3603153 Specdb::MsMs 3603154 Specdb::MsMs 3603155 Specdb::MsMs 3603156 Specdb::MsMs 3603157 Pepper (Spice) Type 1 specific Piper nigrum 13216