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 HMDB34884 #<Reference:0x0000558b63fcbab8>