1.0 2010-04-08 22:10:32 UTC 2015-07-20 22:56:08 UTC FDB013103 1-Pyrrolidinecarboxaldehyde Maillard product 1-Formylpyrrolidine 1-Pyrrolidinecarbaldehyde 1-Pyrrolidinecarboxaldehyde (8CI)(9CI) N-formylpyrrolidine Prolinal Pyrrolidine-1-carbaldehyde Pyrrolidine-1-carboxaldehyde C5H9NO 99.1311 99.068413915 pyrrolidine-1-carbaldehyde N-formylpyrrolidine 3760-54-1 O=CN1CCCC1 InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2 AGRIQBHIKABLPJ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. Pyrrolidines Organic compounds Organoheterocyclic compounds Pyrrolidines Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Tertiary carboxylic acid amide logp -0.42 ALOGPS logs 0.85 ALOGPS solubility 7.01e+02 g/l ALOGPS logp -0.23 ChemAxon pka_strongest_basic -0.31 ChemAxon iupac pyrrolidine-1-carbaldehyde ChemAxon average_mass 99.1311 ChemAxon mono_mass 99.068413915 ChemAxon smiles O=CN1CCCC1 ChemAxon formula C5H9NO ChemAxon inchi InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2 ChemAxon inchikey AGRIQBHIKABLPJ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 27.31 ChemAxon polarizability 10.66 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24079 Specdb::CMs 164442 Specdb::MsIr 6646 Specdb::MsIr 6647 Specdb::NmrOneD 126778 Specdb::NmrOneD 126779 Specdb::NmrOneD 126780 Specdb::NmrOneD 126781 Specdb::NmrOneD 126782 Specdb::NmrOneD 126783 Specdb::NmrOneD 126784 Specdb::NmrOneD 126785 Specdb::NmrOneD 126786 Specdb::NmrOneD 126787 Specdb::NmrOneD 126788 Specdb::NmrOneD 126789 Specdb::NmrOneD 126790 Specdb::NmrOneD 126791 Specdb::NmrOneD 126792 Specdb::NmrOneD 126793 Specdb::NmrOneD 126794 Specdb::NmrOneD 126795 Specdb::NmrOneD 126796 Specdb::NmrOneD 126797 Specdb::MsMs 89259 Specdb::MsMs 89260 Specdb::MsMs 89261 Specdb::MsMs 152151 Specdb::MsMs 152152 Specdb::MsMs 152153 Specdb::MsMs 2798786 Specdb::MsMs 2798787 Specdb::MsMs 2798788 Specdb::MsMs 2883617 Specdb::MsMs 2883618 Specdb::MsMs 2883619 HMDB34587 FP6 #<Reference:0x000055ce320f8bf0>