1.0 2010-04-08 22:14:33 UTC 2019-11-26 03:17:48 UTC FDB019734 2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde Proline-derived Maillard product. Volatile constituent of beer and cooked asparagus. 2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde is found in alcoholic beverages and green vegetables. 5-Formyl-2,3-dihydro-6-methyl-1H-pyrrolizine C9H11NO 149.1897 149.084063979 6-methyl-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde 55041-87-7 CC1=C(C=O)N2CCCC2=C1 InChI=1S/C9H11NO/c1-7-5-8-3-2-4-10(8)9(7)6-11/h5-6H,2-4H2,1H3 NWFQKPJYEJRQRI-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-aldehydes Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrolizine Substituted pyrrole logp 1.33 ALOGPS logs -2.06 ALOGPS solubility 1.30e+00 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 6-methyl-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde ChemAxon average_mass 149.1897 ChemAxon mono_mass 149.084063979 ChemAxon smiles CC1=C(C=O)N2CCCC2=C1 ChemAxon formula C9H11NO ChemAxon inchi InChI=1S/C9H11NO/c1-7-5-8-3-2-4-10(8)9(7)6-11/h5-6H,2-4H2,1H3 ChemAxon inchikey NWFQKPJYEJRQRI-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 45.16 ChemAxon polarizability 16.73 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12011 Specdb::CMs 160861 Specdb::MsIr 8548 Specdb::MsIr 8549 Specdb::MsMs 292450 Specdb::MsMs 292451 Specdb::MsMs 292452 Specdb::MsMs 332647 Specdb::MsMs 332648 Specdb::MsMs 332649 Specdb::MsMs 2325207 Specdb::MsMs 2325208 Specdb::MsMs 2325209 Specdb::MsMs 2610005 Specdb::MsMs 2610006 Specdb::MsMs 2610007 HMDB40047 #<Reference:0x000055ce321252b8> Alcoholic beverages Unknown generic Green vegetables Unknown generic