1.0 2010-04-08 22:14:31 UTC 2015-07-21 06:37:50 UTC FDB019699 2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine Proline- or lysine-derived Maillard product 1-(2,3-Dihydro-7-methyl-1H-pyrrolizin-5-yl)-1-propanone C11H15NO 177.2429 177.115364107 1-(7-methyl-2,3-dihydro-1H-pyrrolizin-5-yl)propan-1-one 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one 97072-98-5 CCC(=O)C1=CC(C)=C2CCCN12 InChI=1S/C11H15NO/c1-3-11(13)10-7-8(2)9-5-4-6-12(9)10/h7H,3-6H2,1-2H3 COEUIAKZDWIIQD-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 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 logp 2.07 ALOGPS logs -2.28 ALOGPS solubility 9.40e-01 g/l ALOGPS logp 2.22 ChemAxon pka_strongest_acidic 17.32 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(7-methyl-2,3-dihydro-1H-pyrrolizin-5-yl)propan-1-one ChemAxon average_mass 177.2429 ChemAxon mono_mass 177.115364107 ChemAxon smiles CCC(=O)C1=CC(C)=C2CCCN12 ChemAxon formula C11H15NO ChemAxon inchi InChI=1S/C11H15NO/c1-3-11(13)10-7-8(2)9-5-4-6-12(9)10/h7H,3-6H2,1-2H3 ChemAxon inchikey COEUIAKZDWIIQD-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 53.6 ChemAxon polarizability 20.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8486 Specdb::MsIr 8487 Specdb::MsMs 306418 Specdb::MsMs 306419 Specdb::MsMs 306420 Specdb::MsMs 350062 Specdb::MsMs 350063 Specdb::MsMs 350064 Specdb::MsMs 2382698 Specdb::MsMs 2382699 Specdb::MsMs 2382700 Specdb::MsMs 2580414 Specdb::MsMs 2580415 Specdb::MsMs 2580416 Specdb::CMs 18235 Specdb::CMs 174012 HMDB40017 #<Reference:0x000055ce32a9e8a8>