1.0 2010-04-08 22:14:32 UTC 2015-07-21 06:37:57 UTC FDB019707 1-(2,3-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone Proline-derived Maillard product 1-(2,3-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone C10H13NO 163.2163 163.099714043 1-(5-methyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-one 1-(3-methyl-6,7-dihydro-5H-pyrrolizin-1-yl)ethanone 97073-06-8 CC(=O)C1=C2CCCN2C(C)=C1 InChI=1S/C10H13NO/c1-7-6-9(8(2)12)10-4-3-5-11(7)10/h6H,3-5H2,1-2H3 DJAGDEJXGVMMGJ-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 1.39 ALOGPS logs -2.16 ALOGPS solubility 1.12e+00 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_acidic 16.05 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 1-(5-methyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-one ChemAxon average_mass 163.2163 ChemAxon mono_mass 163.099714043 ChemAxon smiles CC(=O)C1=C2CCCN2C(C)=C1 ChemAxon formula C10H13NO ChemAxon inchi InChI=1S/C10H13NO/c1-7-6-9(8(2)12)10-4-3-5-11(7)10/h6H,3-5H2,1-2H3 ChemAxon inchikey DJAGDEJXGVMMGJ-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 49.21 ChemAxon polarizability 18.79 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18680 Specdb::CMs 133861 Specdb::CMs 141595 Specdb::MsMs 307465 Specdb::MsMs 307466 Specdb::MsMs 307467 Specdb::MsMs 351427 Specdb::MsMs 351428 Specdb::MsMs 351429 Specdb::MsMs 2317916 Specdb::MsMs 2317917 Specdb::MsMs 2317918 Specdb::MsMs 2618183 Specdb::MsMs 2618184 Specdb::MsMs 2618185 Specdb::MsIr 8503 Specdb::MsIr 8504 HMDB40025 #<Reference:0x000055ce32c7def8>