1.0 2010-04-08 22:10:02 UTC 2019-11-26 03:06:20 UTC FDB012178 Isopiperolein B Alkaloid from the berries of Piper nigrum (pepper). Isopiperolein B is found in herbs and spices. 1-[10-(1,3-Benzodioxol-5-yl)-1-oxo-9-decenyl]pyrrolidine 10-(3,4-Methylenedioxyphenyl)-9-decenoic acid pyrrolidide C21H29NO3 343.4599 343.214743799 (9E)-10-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)dec-9-en-1-one (9E)-10-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)dec-9-en-1-one O=C(CCCCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCC1 InChI=1S/C21H29NO3/c23-21(22-14-8-9-15-22)11-7-5-3-1-2-4-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+ HRMXETZEKQCWBC-UXBLZVDNSA-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 5.12 ALOGPS logs -4.89 ALOGPS solubility 4.47e-03 g/l ALOGPS logp 4.56 ChemAxon pka_strongest_basic 0.12 ChemAxon iupac (9E)-10-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)dec-9-en-1-one ChemAxon average_mass 343.4599 ChemAxon mono_mass 343.214743799 ChemAxon smiles O=C(CCCCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCC1 ChemAxon formula C21H29NO3 ChemAxon inchi InChI=1S/C21H29NO3/c23-21(22-14-8-9-15-22)11-7-5-3-1-2-4-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+ ChemAxon inchikey HRMXETZEKQCWBC-UXBLZVDNSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 100.21 ChemAxon polarizability 40.94 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18046 Specdb::CMs 134376 Specdb::CMs 142110 Specdb::MsMs 107844 Specdb::MsMs 107845 Specdb::MsMs 107846 Specdb::MsMs 174927 Specdb::MsMs 174928 Specdb::MsMs 174929 Specdb::MsMs 2842509 Specdb::MsMs 2842510 Specdb::MsMs 2842511 Specdb::MsMs 2866824 Specdb::MsMs 2866825 Specdb::MsMs 2866826 HMDB33959 #<Reference:0x000055ce31e72750> Herbs and Spices Unknown generic