1.0 2010-04-08 22:05:12 UTC 2019-11-26 02:56:52 UTC FDB002005 (E,E)-Piperlonguminine Alkaloid from Piper longum (long pepper) and other Piper subspecies (E,E)-Piperlonguminine is found in herbs and spices. C16H19NO3 273.327 273.136493479 (Z,2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienimidic acid (Z,2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienimidic acid 5950-12-9 CC(C)C\N=C(/O)\C=C\C=C\C1=CC2=C(OCO2)C=C1 InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+ WHAAPCGHVWVUEX-GGWOSOGESA-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 Carbonyl compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides Styrenes Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary carboxylic acid amide Styrene logp 3.58 ALOGPS logs -4.66 ALOGPS solubility 6.00e-03 g/l ALOGPS melting_point Mp 167-169° logp 3.77 ChemAxon pka_strongest_acidic 7.72 ChemAxon pka_strongest_basic 4.99 ChemAxon iupac (Z,2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienimidic acid ChemAxon average_mass 273.327 ChemAxon mono_mass 273.136493479 ChemAxon smiles CC(C)C\N=C(/O)\C=C\C=C\C1=CC2=C(OCO2)C=C1 ChemAxon formula C16H19NO3 ChemAxon inchi InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+ ChemAxon inchikey WHAAPCGHVWVUEX-GGWOSOGESA-N ChemAxon polar_surface_area 51.05 ChemAxon refractivity 80.13 ChemAxon polarizability 31.45 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10037 Specdb::CMs 41809 Specdb::CMs 150660 Specdb::MsMs 52539 Specdb::MsMs 52540 Specdb::MsMs 52541 Specdb::MsMs 150624 Specdb::MsMs 150625 Specdb::MsMs 150626 Specdb::MsMs 374627 Specdb::MsMs 451252 Specdb::MsMs 2252750 Specdb::MsMs 2253711 Specdb::MsMs 2254799 Specdb::MsMs 2255795 Specdb::MsMs 2256858 Specdb::MsMs 2257715 Specdb::MsMs 2310878 Specdb::MsMs 2310879 Specdb::MsMs 2310880 Specdb::MsMs 2651363 Specdb::MsMs 2651364 Specdb::MsMs 2651365 HMDB30187 #<Reference:0x000055ce32cdace8> Herbs and Spices Unknown generic