1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:08 UTC FDB019726 2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine Proline or lysine-derived Maillard product 1-(3-Ethylidene-3,4,5,6-tetrahydro-2-pyridinyl)ethanone C9H13NO 151.2056 151.099714043 1-[(3Z)-3-ethylidene-3,4,5,6-tetrahydropyridin-2-yl]ethan-1-one 1-[(3Z)-3-ethylidene-5,6-dihydro-4H-pyridin-2-yl]ethanone 118355-72-9 C\C=C1\CCCN=C1C(C)=O InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3- GAEQLABCUJPAHA-BAQGIRSFSA-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 heteromonocyclic compounds Azacyclic compounds Hydrocarbon derivatives Ketimines Ketones Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic heteromonocyclic compound Azacycle Carbonyl group Hydrocarbon derivative Imine Ketimine Ketone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Tetrahydropyridine logp 2.12 ALOGPS logs -2.27 ALOGPS solubility 8.13e-01 g/l ALOGPS logp 2.14 ChemAxon pka_strongest_acidic 18.64 ChemAxon pka_strongest_basic 4.5 ChemAxon iupac 1-[(3Z)-3-ethylidene-3,4,5,6-tetrahydropyridin-2-yl]ethan-1-one ChemAxon average_mass 151.2056 ChemAxon mono_mass 151.099714043 ChemAxon smiles C\C=C1\CCCN=C1C(C)=O ChemAxon formula C9H13NO ChemAxon inchi InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3- ChemAxon inchikey GAEQLABCUJPAHA-BAQGIRSFSA-N ChemAxon polar_surface_area 29.43 ChemAxon refractivity 46.04 ChemAxon polarizability 16.95 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8528 Specdb::MsIr 8529 Specdb::CMs 25090 Specdb::CMs 157675 Specdb::MsMs 321598 Specdb::MsMs 321599 Specdb::MsMs 321600 Specdb::MsMs 369259 Specdb::MsMs 369260 Specdb::MsMs 369261 Specdb::MsMs 2342652 Specdb::MsMs 2342653 Specdb::MsMs 2342654 Specdb::MsMs 2595886 Specdb::MsMs 2595887 Specdb::MsMs 2595888 HMDB40039 #<Reference:0x000055ce32ff0450>