1.0 2010-04-08 22:14:32 UTC 2015-07-21 06:37:58 UTC FDB019709 1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone Proline- or lysine-derived Maillard product 1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone C11H15NO 177.2429 177.115364107 1-(5,6-dimethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-one 1-(2,3-dimethyl-6,7-dihydro-5H-pyrrolizin-1-yl)ethanone CC(=O)C1=C2CCCN2C(C)=C1C InChI=1S/C11H15NO/c1-7-8(2)12-6-4-5-10(12)11(7)9(3)13/h4-6H2,1-3H3 BJTRWJSVQKOMJY-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. Pyrrolizines Organic compounds Organoheterocyclic compounds Pyrrolizines Aromatic heteropolycyclic compounds Aryl alkyl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Vinylogous amides Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrolizine Substituted pyrrole Vinylogous amide logp 1.62 ALOGPS logs -2.33 ALOGPS solubility 8.20e-01 g/l ALOGPS logp 1.8 ChemAxon pka_strongest_acidic 15.99 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 1-(5,6-dimethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-one ChemAxon average_mass 177.2429 ChemAxon mono_mass 177.115364107 ChemAxon smiles CC(=O)C1=C2CCCN2C(C)=C1C ChemAxon formula C11H15NO ChemAxon inchi InChI=1S/C11H15NO/c1-7-8(2)12-6-4-5-10(12)11(7)9(3)13/h4-6H2,1-3H3 ChemAxon inchikey BJTRWJSVQKOMJY-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 54.25 ChemAxon polarizability 20.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8507 Specdb::MsIr 8508 Specdb::CMs 12645 Specdb::CMs 175275 Specdb::MsMs 293809 Specdb::MsMs 293810 Specdb::MsMs 293811 Specdb::MsMs 334375 Specdb::MsMs 334376 Specdb::MsMs 334377 Specdb::MsMs 2376287 Specdb::MsMs 2376288 Specdb::MsMs 2376289 Specdb::MsMs 2562360 Specdb::MsMs 2562361 Specdb::MsMs 2562362 HMDB40027 #<Reference:0x000055ce32b6e5d0>