1.0 2010-04-08 22:14:15 UTC 2015-07-21 06:34:41 UTC FDB019287 1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one Proline-derived Maillard product 1,2,3,4,5,6-Hexahydro-5-methyl-7H-1-pyrindin-7-one, 12CI C9H13NO 151.2056 151.099714043 5-methyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one 5-methyl-1H,2H,3H,4H,5H,6H-cyclopenta[b]pyridin-7-one 104704-29-2 CC1CC(=O)C2=C1CCCN2 InChI=1S/C9H13NO/c1-6-5-8(11)9-7(6)3-2-4-10-9/h6,10H,2-5H2,1H3 VLZZXKFOOXABOV-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 0.76 ALOGPS logs -1.58 ALOGPS solubility 4.02e+00 g/l ALOGPS logp 0.82 ChemAxon pka_strongest_basic 3.86 ChemAxon iupac 5-methyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one ChemAxon average_mass 151.2056 ChemAxon mono_mass 151.099714043 ChemAxon smiles CC1CC(=O)C2=C1CCCN2 ChemAxon formula C9H13NO ChemAxon inchi InChI=1S/C9H13NO/c1-6-5-8(11)9-7(6)3-2-4-10-9/h6,10H,2-5H2,1H3 ChemAxon inchikey VLZZXKFOOXABOV-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 44.84 ChemAxon polarizability 16.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8231 Specdb::MsIr 8232 Specdb::MsIr 8233 Specdb::NmrOneD 34222 Specdb::NmrOneD 34223 Specdb::NmrOneD 34224 Specdb::NmrOneD 34225 Specdb::NmrOneD 34226 Specdb::NmrOneD 34227 Specdb::NmrOneD 34228 Specdb::NmrOneD 34229 Specdb::NmrOneD 34230 Specdb::NmrOneD 34231 Specdb::NmrOneD 34232 Specdb::NmrOneD 34233 Specdb::NmrOneD 34234 Specdb::NmrOneD 34235 Specdb::NmrOneD 34236 Specdb::NmrOneD 34237 Specdb::NmrOneD 34238 Specdb::NmrOneD 34239 Specdb::NmrOneD 34240 Specdb::NmrOneD 34241 Specdb::MsMs 81417 Specdb::MsMs 81418 Specdb::MsMs 81419 Specdb::MsMs 142518 Specdb::MsMs 142519 Specdb::MsMs 142520 Specdb::MsMs 3061391 Specdb::MsMs 3061392 Specdb::MsMs 3061393 Specdb::MsMs 3109239 Specdb::MsMs 3109240 Specdb::MsMs 3109241 Specdb::CMs 16197 Specdb::CMs 136824 Specdb::CMs 144558 HMDB39658 #<Reference:0x000055ce319d1b88>