1.0 2010-04-08 22:14:15 UTC 2019-11-26 03:17:22 UTC FDB019286 1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one Proline-derived Maillard product. Constituent of wort and beer. Flavouring ingredient. 1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one is found in alcoholic beverages. 1,2,3,4,5,6-Hexahydro-7H-1-pyrindin-7-one, 12CI C8H11NO 137.179 137.084063979 1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one 1H,2H,3H,4H,5H,6H-cyclopenta[b]pyridin-7-one 104704-30-5 O=C1CCC2=C1NCCC2 InChI=1S/C8H11NO/c10-7-4-3-6-2-1-5-9-8(6)7/h9H,1-5H2 JOAMMKKZSZEDHD-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. Tetrahydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aliphatic heteropolycyclic compounds Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Ketones Organic oxides Organopnictogen compounds Aliphatic heteropolycyclic compound Amine Azacycle Carbonyl group Enamine Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydropyridine logp 0.27 ALOGPS logs -1.30 ALOGPS solubility 6.86e+00 g/l ALOGPS melting_point Mp 68° logp 0.53 ChemAxon pka_strongest_basic 3.99 ChemAxon iupac 1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one ChemAxon average_mass 137.179 ChemAxon mono_mass 137.084063979 ChemAxon smiles O=C1CCC2=C1NCCC2 ChemAxon formula C8H11NO ChemAxon inchi InChI=1S/C8H11NO/c10-7-4-3-6-2-1-5-9-8(6)7/h9H,1-5H2 ChemAxon inchikey JOAMMKKZSZEDHD-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 40.29 ChemAxon polarizability 15.06 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24340 Specdb::CMs 157326 Specdb::MsIr 8228 Specdb::MsIr 8229 Specdb::MsIr 8230 Specdb::MsMs 46863 Specdb::MsMs 46864 Specdb::MsMs 46865 Specdb::MsMs 162066 Specdb::MsMs 162067 Specdb::MsMs 162068 Specdb::MsMs 2742865 Specdb::MsMs 2742866 Specdb::MsMs 2742867 Specdb::MsMs 2935271 Specdb::MsMs 2935272 Specdb::MsMs 2935273 Specdb::NmrOneD 34202 Specdb::NmrOneD 34203 Specdb::NmrOneD 34204 Specdb::NmrOneD 34205 Specdb::NmrOneD 34206 Specdb::NmrOneD 34207 Specdb::NmrOneD 34208 Specdb::NmrOneD 34209 Specdb::NmrOneD 34210 Specdb::NmrOneD 34211 Specdb::NmrOneD 34212 Specdb::NmrOneD 34213 Specdb::NmrOneD 34214 Specdb::NmrOneD 34215 Specdb::NmrOneD 34216 Specdb::NmrOneD 34217 Specdb::NmrOneD 34218 Specdb::NmrOneD 34219 Specdb::NmrOneD 34220 Specdb::NmrOneD 34221 HMDB39657 #<Reference:0x000055ce300ab3e8> Alcoholic beverages Unknown generic