80170 1 2 3 4 5 6 7 8 9 10 11 12 13 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 2 3 4 4 5 5 5 5 6 6 6 4 13 7 8 7 8 6 7 9 10 8 11 12 1 1 2 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 3.7601 2 5.5202 3.7601 3.2601 4.2601 2.9511 4.5691 3.3249 2.6536 4.8665 4.1953 3.2231 -1.1144 0.1643 0.1643 -0.1144 1.4244 1.4244 0.4734 0.4734 2.041 1.5533 1.5533 2.041 -1.4244 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 126 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180623000000000000000000000000000000160000000000000000000000000000000001E000408000008008180000000021000000800011010000000000000002000010000000000100080000400000004208000000500000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-hydroxypyrrolidine-2,5-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-hydroxypyrrolidine-2,5-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-hydroxypyrrolidine-2,5-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-hydroxypyrrolidine-2,5-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-oxidanylpyrrolidine-2,5-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-hydroxypyrrolidine-2,5-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NQTADLQHYWFPDB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 115.026943022 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H5NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 115.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(=O)N(C1=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(=O)N(C1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 115.026943022 8 0 0 0 0 0 0 0 1 -1