1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:55 UTC FDB012507 Pterolactam Constituent of Pteridium aquilinum (bracken fern). Pterolactam is found in green vegetables and root vegetables. 5-Methoxy-2-pyrrolidinone 5-Methoxypyrrolidin-2-one Pterolactam C5H9NO2 115.1305 115.063328537 5-methoxypyrrolidin-2-one 5-methoxypyrrolidin-2-one 38072-88-7 COC1CCC(=O)N1 InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7) VULIHENHKGDFAB-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. Pyrrolidine-2-ones Organic compounds Organoheterocyclic compounds Pyrrolidines Pyrrolidones Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides 2-pyrrolidone Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide logp -0.79 ALOGPS logs 0.62 ALOGPS solubility 4.85e+02 g/l ALOGPS melting_point Mp 56-67° logp -0.53 ChemAxon pka_strongest_acidic 10.97 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac 5-methoxypyrrolidin-2-one ChemAxon average_mass 115.1305 ChemAxon mono_mass 115.063328537 ChemAxon smiles COC1CCC(=O)N1 ChemAxon formula C5H9NO2 ChemAxon inchi InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7) ChemAxon inchikey VULIHENHKGDFAB-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 28.15 ChemAxon polarizability 11.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6475 Specdb::MsIr 6476 Specdb::MsIr 6477 Specdb::CMs 26518 Specdb::CMs 149910 Specdb::NmrOneD 124858 Specdb::NmrOneD 124859 Specdb::NmrOneD 124860 Specdb::NmrOneD 124861 Specdb::NmrOneD 124862 Specdb::NmrOneD 124863 Specdb::NmrOneD 124864 Specdb::NmrOneD 124865 Specdb::NmrOneD 124866 Specdb::NmrOneD 124867 Specdb::NmrOneD 124868 Specdb::NmrOneD 124869 Specdb::NmrOneD 124870 Specdb::NmrOneD 124871 Specdb::NmrOneD 124872 Specdb::NmrOneD 124873 Specdb::NmrOneD 124874 Specdb::NmrOneD 124875 Specdb::NmrOneD 124876 Specdb::NmrOneD 124877 Specdb::MsMs 8702 Specdb::MsMs 8703 Specdb::MsMs 8704 Specdb::MsMs 15374 Specdb::MsMs 15375 Specdb::MsMs 15376 Specdb::MsMs 2468728 Specdb::MsMs 2468729 Specdb::MsMs 2468730 Specdb::MsMs 2492930 Specdb::MsMs 2492931 Specdb::MsMs 2492932 HMDB34208 #<Reference:0x000055ce300cf720> Green vegetables Unknown generic Root vegetables Unknown generic