1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:44 UTC FDB019295 6-Ethyl-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one Proline-derived Maillard product 6-Ethyl-1,2,3,4,5,6-hexahydro-7H-1-pyrindin-7-one, 12CI C10H15NO 165.2322 165.115364107 6-ethyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[b]pyridin-7-one 6-ethyl-1H,2H,3H,4H,5H,6H-cyclopenta[b]pyridin-7-one 118355-69-4 CCC1CC2=C(NCCC2)C1=O InChI=1S/C10H15NO/c1-2-7-6-8-4-3-5-11-9(8)10(7)12/h7,11H,2-6H2,1H3 GOTCNQZLHJWEAK-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 1.38 ALOGPS logs -1.64 ALOGPS solubility 3.75e+00 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_basic 3.92 ChemAxon iupac 6-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 CCC1CC2=C(NCCC2)C1=O ChemAxon formula C10H15NO ChemAxon inchi InChI=1S/C10H15NO/c1-2-7-6-8-4-3-5-11-9(8)10(7)12/h7,11H,2-6H2,1H3 ChemAxon inchikey GOTCNQZLHJWEAK-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 49.47 ChemAxon polarizability 19.09 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8252 Specdb::MsIr 8253 Specdb::MsIr 8254 Specdb::CMs 25120 Specdb::CMs 160666 Specdb::MsMs 54741 Specdb::MsMs 54742 Specdb::MsMs 54743 Specdb::MsMs 143676 Specdb::MsMs 143677 Specdb::MsMs 143678 Specdb::MsMs 2272155 Specdb::MsMs 2272156 Specdb::MsMs 2272157 Specdb::MsMs 3069789 Specdb::MsMs 3069790 Specdb::MsMs 3069791 Specdb::NmrOneD 34362 Specdb::NmrOneD 34363 Specdb::NmrOneD 34364 Specdb::NmrOneD 34365 Specdb::NmrOneD 34366 Specdb::NmrOneD 34367 Specdb::NmrOneD 34368 Specdb::NmrOneD 34369 Specdb::NmrOneD 34370 Specdb::NmrOneD 34371 Specdb::NmrOneD 34372 Specdb::NmrOneD 34373 Specdb::NmrOneD 34374 Specdb::NmrOneD 34375 Specdb::NmrOneD 34376 Specdb::NmrOneD 34377 Specdb::NmrOneD 34378 Specdb::NmrOneD 34379 Specdb::NmrOneD 34380 Specdb::NmrOneD 34381 HMDB39666 #<Reference:0x000055ce2da58268>