1.0 2010-04-08 22:14:31 UTC 2015-07-21 06:37:46 UTC FDB019690 2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde Proline-derived Maillard product 5-Formyl-2,3-dihydro-1H-pyrrolizine C8H9NO 135.1632 135.068413915 2,3-dihydro-1H-pyrrolizine-5-carbaldehyde 6,7-dihydro-5H-pyrrolizine-3-carbaldehyde 6225-59-8 O=CC1=CC=C2CCCN12 InChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2 XDRGCZAFSAFSLR-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 1.22 ALOGPS logs -1.94 ALOGPS solubility 1.54e+00 g/l ALOGPS logp 1.16 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 2,3-dihydro-1H-pyrrolizine-5-carbaldehyde ChemAxon average_mass 135.1632 ChemAxon mono_mass 135.068413915 ChemAxon smiles O=CC1=CC=C2CCCN12 ChemAxon formula C8H9NO ChemAxon inchi InChI=1S/C8H9NO/c10-6-8-4-3-7-2-1-5-9(7)8/h3-4,6H,1-2,5H2 ChemAxon inchikey XDRGCZAFSAFSLR-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 40.12 ChemAxon polarizability 14.57 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8466 Specdb::MsIr 8467 Specdb::CMs 11101 Specdb::CMs 171862 Specdb::NmrOneD 38002 Specdb::NmrOneD 38003 Specdb::NmrOneD 38004 Specdb::NmrOneD 38005 Specdb::NmrOneD 38006 Specdb::NmrOneD 38007 Specdb::NmrOneD 38008 Specdb::NmrOneD 38009 Specdb::NmrOneD 38010 Specdb::NmrOneD 38011 Specdb::NmrOneD 38012 Specdb::NmrOneD 38013 Specdb::NmrOneD 38014 Specdb::NmrOneD 38015 Specdb::NmrOneD 38016 Specdb::NmrOneD 38017 Specdb::NmrOneD 38018 Specdb::NmrOneD 38019 Specdb::NmrOneD 38020 Specdb::NmrOneD 38021 Specdb::MsMs 290485 Specdb::MsMs 290486 Specdb::MsMs 290487 Specdb::MsMs 330178 Specdb::MsMs 330179 Specdb::MsMs 330180 Specdb::MsMs 2826930 Specdb::MsMs 2826931 Specdb::MsMs 2826932 Specdb::MsMs 2851540 Specdb::MsMs 2851541 Specdb::MsMs 2851542 HMDB40008 #<Reference:0x000055ce30cf0478>