1.02011-09-26 22:53:46 UTC2019-11-26 03:21:33 UTCFDB0296592-acetyl-1,4,5,6-tetrahydropyridineFlavouring compound [Flavornet]C7H11NO125.171125.0840639781-(1,4,5,6-tetrahydropyridin-2-yl)ethan-1-one2-acetyltetrahydropyridine25343-57-1CC(=O)C1=CCCCN1InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h4,8H,2-3,5H2,1H3HRAOWRVFLSYJKN-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.TetrahydropyridinesOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesHydropyridinesAliphatic heteromonocyclic compoundsAlpha-amino ketonesAzacyclic compoundsDialkylaminesEnaminesHydrocarbon derivativesOrganic oxidesOrganopnictogen compoundsAliphatic heteromonocyclic compoundAlpha-aminoketoneAmineAzacycleCarbonyl groupEnamineHydrocarbon derivativeKetoneOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundSecondary aliphatic amineSecondary amineTetrahydropyridinetetrahydropyridinelogp0.79logs-0.34solubility5.77e+01 g/llogp0.5pka_strongest_basic4.1iupac1-(1,4,5,6-tetrahydropyridin-2-yl)ethan-1-oneaverage_mass125.171mono_mass125.084063978smilesCC(=O)C1=CCCCN1formulaC7H11NOinchiInChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h4,8H,2-3,5H2,1H3inchikeyHRAOWRVFLSYJKN-UHFFFAOYSA-Npolar_surface_area29.1refractivity37.78polarizability13.89rotatable_bond_count1acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsMs1332691Specdb::MsMs1332692Specdb::MsMs1332693Specdb::MsMs1446940Specdb::MsMs1446941Specdb::MsMs1446942Specdb::MsMs3607075Specdb::MsMs3607076Specdb::MsMs3607077Specdb::MsMs3608296Specdb::MsMs3608297Specdb::MsMs3608298Tortilla chipType 2specificcaramelcaramellic