134780 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 12 13 14 14 15 17 18 18 19 19 20 11 12 13 16 8 12 13 11 16 26 17 30 31 9 11 21 10 22 23 16 24 25 14 15 15 17 18 19 20 27 20 28 29 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 8 5 9 11 21 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 6.2619 4.9889 4.9889 9.2619 5.2619 7.7619 2.866 6.2619 6.7619 7.7619 6.7619 4.6783 4.6783 3.732 3.732 8.2619 2.866 2.866 2 2 5.9519 6.8695 6.1793 8.3445 7.6542 8.0719 2.866 1.4631 1.4631 2.3291 3.403 -2.0094 1.4779 -2.0326 -0.2774 -0.2774 -1.1434 1.7226 -0.2774 0.5887 0.5887 -1.1434 0.5274 -1.0821 0.2226 -0.7774 -0.2774 0.7226 -1.2774 0.2226 -0.7774 0.2596 1.1992 0.8007 0.8007 1.1992 -1.6803 -1.8974 0.5326 -1.0874 2.0326 2.0326 3 8 8 8 8 8 8 8 14 14 15 17 18 19 5 15 17 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 504 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07338000000000000000000000000000001600000003C4000000000000058010000001E00100000000C28C1980430C083C000008802255250008200002402000888018864C808603A80D5B194218860962088C9C71D8B808E80000040001200000000008000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-azanyl-2-[2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-2-(2,6-diketo-3-piperidyl)isoindoline-1,3-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UVSMNLNDYGZFPF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 273.07495584 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H11N3O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 273.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 110 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 273.07495584 20 1 0 1 0 0 0 0 1 -1