1.0 2010-04-08 22:14:20 UTC 2015-07-21 06:35:32 UTC FDB019402 Phygrine Alkaloid from roots and aerial parts of Physalis alkekengi (winter cherry), the famine food Physalis angulata (cutleaf ground cherry), Physalis philadelphica (tomatillo), Physalis peruviana (Cape gooseberry), Physalis pubescens (ground cherry) and Physalis pruinosa (strawberry tomato) C16H28N2O2 280.4057 280.21507815 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one 148139-97-3 CN1CCCC1CC(=O)CC1CCC(CC(C)=O)N1C InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3 UBFAEXSSMSJTQV-UHFFFAOYSA-N belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Alkaloids and derivatives Organic compounds Alkaloids and derivatives Aliphatic heteromonocyclic compounds Azacyclic compounds Beta-amino ketones Hydrocarbon derivatives N-alkylpyrrolidines Organic oxides Organopnictogen compounds Trialkylamines Aliphatic heteromonocyclic compound Alkaloid or derivatives Amine Azacycle Beta-aminoketone Carbonyl group Hydrocarbon derivative Ketone N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Tertiary aliphatic amine Tertiary amine logp 1.55 ALOGPS logs -1.63 ALOGPS solubility 6.52e+00 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_acidic 17.58 ChemAxon pka_strongest_basic 8.65 ChemAxon iupac 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one ChemAxon average_mass 280.4057 ChemAxon mono_mass 280.21507815 ChemAxon smiles CN1CCCC1CC(=O)CC1CCC(CC(C)=O)N1C ChemAxon formula C16H28N2O2 ChemAxon inchi InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3 ChemAxon inchikey UBFAEXSSMSJTQV-UHFFFAOYSA-N ChemAxon polar_surface_area 40.62 ChemAxon refractivity 80.88 ChemAxon polarizability 32.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19790 Specdb::CMs 137159 Specdb::CMs 144893 Specdb::MsMs 82290 Specdb::MsMs 82291 Specdb::MsMs 82292 Specdb::MsMs 143607 Specdb::MsMs 143608 Specdb::MsMs 143609 Specdb::MsMs 2359784 Specdb::MsMs 2359785 Specdb::MsMs 2359786 Specdb::MsMs 2606245 Specdb::MsMs 2606246 Specdb::MsMs 2606247 Specdb::NmrOneD 35802 Specdb::NmrOneD 35803 Specdb::NmrOneD 35804 Specdb::NmrOneD 35805 Specdb::NmrOneD 35806 Specdb::NmrOneD 35807 Specdb::NmrOneD 35808 Specdb::NmrOneD 35809 Specdb::NmrOneD 35810 Specdb::NmrOneD 35811 Specdb::NmrOneD 35812 Specdb::NmrOneD 35813 Specdb::NmrOneD 35814 Specdb::NmrOneD 35815 Specdb::NmrOneD 35816 Specdb::NmrOneD 35817 Specdb::NmrOneD 35818 Specdb::NmrOneD 35819 Specdb::NmrOneD 35820 Specdb::NmrOneD 35821 HMDB39754 #<Reference:0x000055ce318efb48>