1.02010-04-08 22:14:32 UTC2015-07-21 06:37:52 UTCFDB0197011-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanoneProline-derived Maillard product1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanoneC11H15NO177.2429177.1153641071-(5-ethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-one1-(3-ethyl-6,7-dihydro-5H-pyrrolizin-1-yl)ethanone97073-13-7CCC1=CC(C(C)=O)=C2CCCN12InChI=1S/C11H15NO/c1-3-9-7-10(8(2)13)11-5-4-6-12(9)11/h7H,3-6H2,1-2H3ZBWDGLUDPXAPPN-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 compoundsAryl alkyl ketonesAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsSubstituted pyrrolesVinylogous amidesAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneAzacycleHeteroaromatic compoundHydrocarbon derivativeKetoneOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPyrrolePyrrolizineSubstituted pyrroleVinylogous amidelogp2.16logs-2.31solubility8.75e-01 g/llogp1.81pka_strongest_acidic16.04pka_strongest_basic-7.5iupac1-(5-ethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-oneaverage_mass177.2429mono_mass177.115364107smilesCCC1=CC(C(C)=O)=C2CCCN12formulaC11H15NOinchiInChI=1S/C11H15NO/c1-3-9-7-10(8(2)13)11-5-4-6-12(9)11/h7H,3-6H2,1-2H3inchikeyZBWDGLUDPXAPPN-UHFFFAOYSA-Npolar_surface_area22refractivity53.73polarizability20.74rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr8490Specdb::MsIr8491Specdb::CMs15882Specdb::CMs173177Specdb::MsMs301168Specdb::MsMs301169Specdb::MsMs301170Specdb::MsMs343627Specdb::MsMs343628Specdb::MsMs343629Specdb::MsMs2758515Specdb::MsMs2758516Specdb::MsMs2758517Specdb::MsMs2950641Specdb::MsMs2950642Specdb::MsMs2950643HMDB40019#<Reference:0x00005556742ddd98>