3448 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 5 6 6 7 7 8 9 9 4 8 10 7 9 17 10 18 6 7 11 12 8 10 13 14 9 15 16 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 5.2152 5.5259 2.5369 5.7988 3.403 4.269 2.5369 4.269 3.403 5.2152 3.8015 3.0044 2.3249 1.9264 3.0044 3.8015 2 6.4188 -1.1824 1.3776 -0.8776 -0.3776 0.6224 0.1224 0.1224 -0.8776 -1.3776 0.4271 1.0973 1.0973 0.705 0.0147 -1.8526 -1.8526 -1.1876 -0.3776 8 8 8 8 8 1 1 4 6 6 4 8 10 8 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 210 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 2 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 00000371C0633000000000000000000000000000000100000000200000000000000058000000001E00140000000C04C18004000002D000008802015010008000002020002008810800480200100080000400000010009801020400000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZXRVKCBLGJOCEE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 140.058577502 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H8N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 140.14 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCC2=C1C(=O)NO2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCC2=C1C(=O)NO2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 140.058577502 10 0 0 0 0 0 0 0 1 -1