1.0 2010-04-08 22:14:15 UTC 2015-07-21 06:34:40 UTC FDB019284 1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[b]pyridin-7-one Proline-derived Maillard product 1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-1-pyrindin-7-one, 12CI C10H13NO2 179.2157 179.094628665 (5E)-5-(1-hydroxyethylidene)-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one (5E)-5-(1-hydroxyethylidene)-1H,2H,3H,4H,6H-cyclopenta[b]pyridin-7-one 118355-70-7 C\C(O)=C1\CC(=O)C2=C1CCCN2 InChI=1S/C10H13NO2/c1-6(12)8-5-9(13)10-7(8)3-2-4-11-10/h11-12H,2-5H2,1H3/b8-6+ BJPWZQDKNZJLFC-SOFGYWHQSA-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 Enols Hydrocarbon derivatives Ketones Organic oxides Organopnictogen compounds Aliphatic heteropolycyclic compound Amine Azacycle Carbonyl group Enamine Enol Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydropyridine logp -0.23 ALOGPS logs -1.53 ALOGPS solubility 5.28e+00 g/l ALOGPS logp -0.046 ChemAxon pka_strongest_acidic 9.44 ChemAxon pka_strongest_basic 2.73 ChemAxon iupac (5E)-5-(1-hydroxyethylidene)-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one ChemAxon average_mass 179.2157 ChemAxon mono_mass 179.094628665 ChemAxon smiles C\C(O)=C1\CC(=O)C2=C1CCCN2 ChemAxon formula C10H13NO2 ChemAxon inchi InChI=1S/C10H13NO2/c1-6(12)8-5-9(13)10-7(8)3-2-4-11-10/h11-12H,2-5H2,1H3/b8-6+ ChemAxon inchikey BJPWZQDKNZJLFC-SOFGYWHQSA-N ChemAxon polar_surface_area 49.33 ChemAxon refractivity 52.41 ChemAxon polarizability 19.31 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8225 Specdb::MsIr 8226 Specdb::MsIr 8227 Specdb::CMs 13470 Specdb::CMs 46507 Specdb::CMs 137655 Specdb::CMs 145389 Specdb::NmrOneD 34182 Specdb::NmrOneD 34183 Specdb::NmrOneD 34184 Specdb::NmrOneD 34185 Specdb::NmrOneD 34186 Specdb::NmrOneD 34187 Specdb::NmrOneD 34188 Specdb::NmrOneD 34189 Specdb::NmrOneD 34190 Specdb::NmrOneD 34191 Specdb::NmrOneD 34192 Specdb::NmrOneD 34193 Specdb::NmrOneD 34194 Specdb::NmrOneD 34195 Specdb::NmrOneD 34196 Specdb::NmrOneD 34197 Specdb::NmrOneD 34198 Specdb::NmrOneD 34199 Specdb::NmrOneD 34200 Specdb::NmrOneD 34201 Specdb::MsMs 101670 Specdb::MsMs 101671 Specdb::MsMs 101672 Specdb::MsMs 167325 Specdb::MsMs 167326 Specdb::MsMs 167327 Specdb::MsMs 2694504 Specdb::MsMs 2694505 Specdb::MsMs 2694506 Specdb::MsMs 2987612 Specdb::MsMs 2987613 Specdb::MsMs 2987614 HMDB39655 #<Reference:0x000055ce3221ca90>