1.0 2010-04-08 22:10:44 UTC 2015-07-20 22:59:36 UTC FDB013474 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione Bacterial mutagen produced by chlorination of simulated poultry chiller water C5H2Cl3NO2 214.434 212.915111434 3-chloro-4-(dichloromethylidene)pyrrolidine-2,5-dione 3-chloro-4-(dichloromethylidene)pyrrolidine-2,5-dione 170660-63-6 ClC1C(=O)NC(=O)C1=C(Cl)Cl InChI=1S/C5H2Cl3NO2/c6-2-1(3(7)8)4(10)9-5(2)11/h2H,(H,9,10,11) GUWJHDWPNSUUCW-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 Alkyl chlorides Azacyclic compounds Carbonyl compounds Chloroalkenes Dicarboximides Hydrocarbon derivatives Ketene acetals Lactams N-unsubstituted carboxylic acid imides Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Vinyl chlorides Vinylogous halides 2-pyrrolidone Aliphatic heteromonocyclic compound Alkyl chloride Alkyl halide Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Chloroalkene Dicarboximide Haloalkene Hydrocarbon derivative Ketene acetal or derivatives Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Vinyl chloride Vinyl halide Vinylogous halide logp 1.63 ALOGPS logs -2.64 ALOGPS solubility 4.94e-01 g/l ALOGPS melting_point Mp 153-154.5° logp 0.85 ChemAxon pka_strongest_acidic 6.94 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 3-chloro-4-(dichloromethylidene)pyrrolidine-2,5-dione ChemAxon average_mass 214.434 ChemAxon mono_mass 212.915111434 ChemAxon smiles ClC1C(=O)NC(=O)C1=C(Cl)Cl ChemAxon formula C5H2Cl3NO2 ChemAxon inchi InChI=1S/C5H2Cl3NO2/c6-2-1(3(7)8)4(10)9-5(2)11/h2H,(H,9,10,11) ChemAxon inchikey GUWJHDWPNSUUCW-UHFFFAOYSA-N ChemAxon polar_surface_area 46.17 ChemAxon refractivity 51.45 ChemAxon polarizability 16.15 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18246 Specdb::CMs 150567 Specdb::MsMs 56769 Specdb::MsMs 56770 Specdb::MsMs 56771 Specdb::MsMs 112284 Specdb::MsMs 112285 Specdb::MsMs 112286 Specdb::MsMs 2290119 Specdb::MsMs 2290120 Specdb::MsMs 2290121 Specdb::MsMs 2649426 Specdb::MsMs 2649427 Specdb::MsMs 2649428 HMDB34897 #<Reference:0x000055ce3285dfa8>