1.0 2010-04-08 22:10:43 UTC 2017-04-03 04:52:15 UTC FDB013459 1,2,3,4-Tetrahydro-6-propanoylpyridine Formed by thermal treatment of proline and glucose mixtures 1-(1,4,5,6-Tetrahydro-2-pyridinyl)-1-propanone, 9CI 1-(3,4,5,6-Tetrahydro-2-pyridinyl)-1-propanone, 9CI 2-Propionyltetrahydropyridine PTP C8H13NO 139.1949 139.099714043 1-(1,4,5,6-tetrahydropyridin-2-yl)propan-1-one 1-(1,4,5,6-tetrahydropyridin-2-yl)propan-1-one 92-94-4 CCC(=O)C1=CCCCN1 InChI=1S/C8H13NO/c1-2-8(10)7-5-3-4-6-9-7/h5,9H,2-4,6H2,1H3 DOGZYNACXGUDFW-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 Alpha-amino ketones Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aliphatic heteromonocyclic compound Alpha-aminoketone 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 1.37 ALOGPS logs -0.49 ALOGPS solubility 4.50e+01 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_basic 4.05 ChemAxon iupac 1-(1,4,5,6-tetrahydropyridin-2-yl)propan-1-one ChemAxon average_mass 139.1949 ChemAxon mono_mass 139.099714043 ChemAxon smiles CCC(=O)C1=CCCCN1 ChemAxon formula C8H13NO ChemAxon inchi InChI=1S/C8H13NO/c1-2-8(10)7-5-3-4-6-9-7/h5,9H,2-4,6H2,1H3 ChemAxon inchikey DOGZYNACXGUDFW-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 42.41 ChemAxon polarizability 15.83 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24582 Specdb::CMs 158642 Specdb::MsIr 6718 Specdb::MsIr 6719 Specdb::MsIr 6720 Specdb::MsMs 106896 Specdb::MsMs 106897 Specdb::MsMs 106898 Specdb::MsMs 173745 Specdb::MsMs 173746 Specdb::MsMs 173747 Specdb::MsMs 2384336 Specdb::MsMs 2384337 Specdb::MsMs 2384338 Specdb::MsMs 2582147 Specdb::MsMs 2582148 Specdb::MsMs 2582149 Specdb::NmrOneD 128148 Specdb::NmrOneD 128149 Specdb::NmrOneD 128150 Specdb::NmrOneD 128151 Specdb::NmrOneD 128152 Specdb::NmrOneD 128153 Specdb::NmrOneD 128154 Specdb::NmrOneD 128155 Specdb::NmrOneD 128156 Specdb::NmrOneD 128157 Specdb::NmrOneD 128158 Specdb::NmrOneD 128159 Specdb::NmrOneD 128160 Specdb::NmrOneD 128161 Specdb::NmrOneD 128162 Specdb::NmrOneD 128163 Specdb::NmrOneD 128164 Specdb::NmrOneD 128165 Specdb::NmrOneD 128166 Specdb::NmrOneD 128167 HMDB34884 #<Reference:0x000055ce32a9abb8>