1.0 2011-09-21 00:12:52 UTC 2015-07-21 06:57:10 UTC FDB022368 Nicotine imine Nicotine-delta 1'-(5')-iminium ion is an intermediate in the metabolic conversion of nicotine to cotinine. This product is generated by liver enzymes. [HMDB] (S)-1-(methylene-11C)-2-(3-pyridinyl)-pyrrolidium (S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium 11C-nicotine imine nicotine imine nicotine iminium nicotine-delta 1'-(5')-iminium C10H13N2 161.2236 161.107873426 1-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrol-1-ium 1-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrol-1-ium 74710-78-4 C[N+]1=CCCC1C1=CC=CN=C1 InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1 GTQXYYYOJZZJHL-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 Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic cations Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Pyrrolines Alkaloid or derivatives Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic cation Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyridine Pyrroline a small molecule Solid logp -1.95 ALOGPS logs -2.96 ALOGPS solubility 2.14e-01 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_basic 4.46 ChemAxon iupac 1-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrol-1-ium ChemAxon average_mass 161.2236 ChemAxon mono_mass 161.107873426 ChemAxon smiles C[N+]1=CCCC1C1=CC=CN=C1 ChemAxon formula C10H13N2 ChemAxon inchi InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1 ChemAxon inchikey GTQXYYYOJZZJHL-UHFFFAOYSA-N ChemAxon polar_surface_area 15.9 ChemAxon refractivity 59.8 ChemAxon polarizability 18.14 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::NmrOneD 146030 Specdb::NmrOneD 146031 Specdb::NmrOneD 146032 Specdb::NmrOneD 146033 Specdb::NmrOneD 146034 Specdb::NmrOneD 146035 Specdb::NmrOneD 146036 Specdb::NmrOneD 146037 Specdb::NmrOneD 146038 Specdb::NmrOneD 146039 Specdb::NmrOneD 146040 Specdb::NmrOneD 146041 Specdb::NmrOneD 146042 Specdb::NmrOneD 146043 Specdb::NmrOneD 146044 Specdb::NmrOneD 146045 Specdb::NmrOneD 146046 Specdb::NmrOneD 146047 Specdb::NmrOneD 146048 Specdb::NmrOneD 146049 Specdb::MsMs 108342 Specdb::MsMs 108343 Specdb::MsMs 108344 Specdb::MsMs 175539 Specdb::MsMs 175540 Specdb::MsMs 175541 Specdb::MsMs 2983040 Specdb::MsMs 2983041 Specdb::MsMs 2983042 Specdb::CMs 11421 Specdb::CMs 133647 Specdb::CMs 141381 HMDB01010 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823