1.02010-04-08 22:14:32 UTC2015-07-21 06:37:59 UTCFDB0197101-(2,3-Dihydro-1H-pyrrolizin-5-yl)-2-propen-1-oneProline-derived Maillard product5-Acryloyl-2,3-dihydro-1H-pyrrolizineC10H11NO161.2004161.0840639791-(2,3-dihydro-1H-pyrrolizin-5-yl)prop-2-en-1-one1-(6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-en-1-one97073-00-2C=CC(=O)C1=CC=C2CCCN12InChI=1S/C10H11NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h2,5-6H,1,3-4,7H2WDGGKRGJJOBJCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolizines. Pyrrolizines are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring.PyrrolizinesOrganic compoundsOrganoheterocyclic compoundsPyrrolizinesAromatic heteropolycyclic compoundsAcryloyl compoundsAryl ketonesAzacyclic compoundsEnonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsSubstituted pyrrolesAcryloyl-groupAlpha,beta-unsaturated ketoneAromatic heteropolycyclic compoundAryl ketoneAzacycleEnoneHeteroaromatic compoundHydrocarbon derivativeKetoneOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPyrrolePyrrolizineSubstituted pyrrolelogp1.41logs-2.22solubility9.70e-01 g/llogp1.76pka_strongest_acidic17.65pka_strongest_basic-7.6iupac1-(2,3-dihydro-1H-pyrrolizin-5-yl)prop-2-en-1-oneaverage_mass161.2004mono_mass161.084063979smilesC=CC(=O)C1=CC=C2CCCN12formulaC10H11NOinchiInChI=1S/C10H11NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h2,5-6H,1,3-4,7H2inchikeyWDGGKRGJJOBJCZ-UHFFFAOYSA-Npolar_surface_area22refractivity48.58polarizability17.95rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs23642Specdb::CMs155315Specdb::MsIr8509Specdb::MsIr8510Specdb::MsMs318400Specdb::MsMs318401Specdb::MsMs318402Specdb::MsMs365161Specdb::MsMs365162Specdb::MsMs365163Specdb::MsMs2284381Specdb::MsMs2284382Specdb::MsMs2284383Specdb::MsMs3081912Specdb::MsMs3081913Specdb::MsMs3081914HMDB40028#<Reference:0x00005556758398b8>