1.0 2010-04-08 22:13:28 UTC 2019-11-26 03:15:36 UTC FDB018042 (2E,6E)-Piperamide-C7:2 Constituent of the fruits of pepper (Piper nigrum) and cha-plu (Piper sarmentosum) (Piperaceae). (2E,6E)-Piperamide-C7:2 is found in herbs and spices and pepper (spice). Piperamide-C7:2 (2E,6E) Sarmentosine? C18H21NO3 299.3642 299.152143543 (2E,6Z)-7-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)hepta-2,6-dien-1-one (2E,6Z)-7-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)hepta-2,6-dien-1-one 112448-68-7 O=C(\C=C\CC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1 InChI=1S/C18H21NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3-4,7-10,13H,1-2,5-6,11-12,14H2/b7-3-,8-4+ RUXALYXWBMBHLF-KYPMKJFLSA-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 logp 3.65 ALOGPS logs -3.94 ALOGPS solubility 3.40e-02 g/l ALOGPS melting_point Mp 77.5-79.5° logp 3.22 ChemAxon pka_strongest_basic 2.17 ChemAxon iupac (2E,6Z)-7-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)hepta-2,6-dien-1-one ChemAxon average_mass 299.3642 ChemAxon mono_mass 299.152143543 ChemAxon smiles O=C(\C=C\CC\C=C/C1=CC2=C(OCO2)C=C1)N1CCCC1 ChemAxon formula C18H21NO3 ChemAxon inchi InChI=1S/C18H21NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3-4,7-10,13H,1-2,5-6,11-12,14H2/b7-3-,8-4+ ChemAxon inchikey RUXALYXWBMBHLF-KYPMKJFLSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 87.5 ChemAxon polarizability 33.21 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14341 Specdb::CMs 175257 Specdb::MsMs 108336 Specdb::MsMs 108337 Specdb::MsMs 108338 Specdb::MsMs 175530 Specdb::MsMs 175531 Specdb::MsMs 175532 Specdb::MsMs 2682573 Specdb::MsMs 2682574 Specdb::MsMs 2682575 Specdb::MsMs 3022371 Specdb::MsMs 3022372 Specdb::MsMs 3022373 HMDB38647 #<Reference:0x000055ce32ccb220> Herbs and Spices Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216