1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:44 UTC FDB019294 5-Ethyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one Proline-derived Maillard product 5-Ethyl-1,2,3,4,5,6-hexahydro-7H-1-pyrindin-7-one, 12CI C10H15NO 165.2322 165.115364107 5-ethyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one 5-ethyl-1H,2H,3H,4H,5H,6H-cyclopenta[b]pyridin-7-one 104704-37-2 CCC1CC(=O)C2=C1CCCN2 InChI=1S/C10H15NO/c1-2-7-6-9(12)10-8(7)4-3-5-11-10/h7,11H,2-6H2,1H3 NGMCKGVAXGETLC-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 1.39 ALOGPS logs -1.75 ALOGPS solubility 2.92e+00 g/l ALOGPS logp 1.26 ChemAxon pka_strongest_basic 3.83 ChemAxon iupac 5-ethyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one ChemAxon average_mass 165.2322 ChemAxon mono_mass 165.115364107 ChemAxon smiles CCC1CC(=O)C2=C1CCCN2 ChemAxon formula C10H15NO ChemAxon inchi InChI=1S/C10H15NO/c1-2-7-6-9(12)10-8(7)4-3-5-11-10/h7,11H,2-6H2,1H3 ChemAxon inchikey NGMCKGVAXGETLC-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 49.44 ChemAxon polarizability 19.01 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8249 Specdb::MsIr 8250 Specdb::MsIr 8251 Specdb::CMs 24096 Specdb::CMs 138058 Specdb::CMs 145792 Specdb::MsMs 79782 Specdb::MsMs 79783 Specdb::MsMs 79784 Specdb::MsMs 140460 Specdb::MsMs 140461 Specdb::MsMs 140462 Specdb::MsMs 2699986 Specdb::MsMs 2699987 Specdb::MsMs 2699988 Specdb::MsMs 3004818 Specdb::MsMs 3004819 Specdb::MsMs 3004820 Specdb::NmrOneD 34342 Specdb::NmrOneD 34343 Specdb::NmrOneD 34344 Specdb::NmrOneD 34345 Specdb::NmrOneD 34346 Specdb::NmrOneD 34347 Specdb::NmrOneD 34348 Specdb::NmrOneD 34349 Specdb::NmrOneD 34350 Specdb::NmrOneD 34351 Specdb::NmrOneD 34352 Specdb::NmrOneD 34353 Specdb::NmrOneD 34354 Specdb::NmrOneD 34355 Specdb::NmrOneD 34356 Specdb::NmrOneD 34357 Specdb::NmrOneD 34358 Specdb::NmrOneD 34359 Specdb::NmrOneD 34360 Specdb::NmrOneD 34361 HMDB39665 #<Reference:0x000055ce3260ef40>