1.0 2010-04-08 22:10:55 UTC 2015-07-20 23:02:43 UTC FDB013818 6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone Minor product from the Maillard reaction of xylose and glycine C8H11NO3 169.1778 169.073893223 6-acetyl-2-(hydroxymethyl)-1,2,3,4-tetrahydropyridin-4-one 2-acetyl-6-(hydroxymethyl)-5,6-dihydro-1H-pyridin-4-one 214218-63-0 CC(=O)C1=CC(=O)CC(CO)N1 InChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3 SIWHSHNFBDSUFB-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 heteromonocyclic compounds 1,2-aminoalcohols Alpha-amino ketones Azacyclic compounds Cyclic ketones Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Vinylogous amides 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Alpha-aminoketone Amine Azacycle Carbonyl group Cyclic ketone Enamine Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary aliphatic amine Secondary amine Tetrahydropyridine Vinylogous amide logp -0.25 ALOGPS logs -0.83 ALOGPS solubility 2.48e+01 g/l ALOGPS logp -0.8 ChemAxon pka_strongest_acidic 15.08 ChemAxon pka_strongest_basic -2 ChemAxon iupac 6-acetyl-2-(hydroxymethyl)-1,2,3,4-tetrahydropyridin-4-one ChemAxon average_mass 169.1778 ChemAxon mono_mass 169.073893223 ChemAxon smiles CC(=O)C1=CC(=O)CC(CO)N1 ChemAxon formula C8H11NO3 ChemAxon inchi InChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3 ChemAxon inchikey SIWHSHNFBDSUFB-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 44.21 ChemAxon polarizability 16.73 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6835 Specdb::MsIr 6836 Specdb::MsIr 6837 Specdb::CMs 20037 Specdb::CMs 44235 Specdb::CMs 150802 Specdb::MsMs 109518 Specdb::MsMs 109519 Specdb::MsMs 109520 Specdb::MsMs 176967 Specdb::MsMs 176968 Specdb::MsMs 176969 Specdb::MsMs 2708540 Specdb::MsMs 2708541 Specdb::MsMs 2708542 Specdb::MsMs 2999842 Specdb::MsMs 2999843 Specdb::MsMs 2999844 Specdb::NmrOneD 130378 Specdb::NmrOneD 130379 Specdb::NmrOneD 130380 Specdb::NmrOneD 130381 Specdb::NmrOneD 130382 Specdb::NmrOneD 130383 Specdb::NmrOneD 130384 Specdb::NmrOneD 130385 Specdb::NmrOneD 130386 Specdb::NmrOneD 130387 Specdb::NmrOneD 130388 Specdb::NmrOneD 130389 Specdb::NmrOneD 130390 Specdb::NmrOneD 130391 Specdb::NmrOneD 130392 Specdb::NmrOneD 130393 Specdb::NmrOneD 130394 Specdb::NmrOneD 130395 Specdb::NmrOneD 130396 Specdb::NmrOneD 130397 HMDB35178 #<Reference:0x000055ce31f903a8>