71122 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 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 10 13 13 13 14 14 15 15 9 11 11 12 16 12 16 26 16 29 30 8 10 11 12 9 17 18 13 19 14 20 21 22 23 24 15 25 27 28 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 7 8 10 11 12 3 1 9 1 8 13 19 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 4.6701 5.9302 5.7524 5.9334 4.3511 4.5322 4.1701 3.3611 3.6701 3.5823 4.9791 4.7579 3.0823 2.5878 2 4.9389 3.0511 2.7947 3.9516 4.1396 3.4114 2.5807 2.7179 3.5839 2.3356 3.7345 2.2522 1.3834 4.8966 3.9156 -2.3383 -1.0782 -0.0949 1.6276 0.9231 2.6457 -0.7994 -1.3872 -2.3383 0.0096 -1.3872 0.0096 -3.1473 -0.0949 0.7141 1.7322 -0.8503 -1.6394 -2.8907 0.2814 0.6056 -2.7829 -3.6489 -3.5117 -0.6613 0.9879 1.2805 0.6493 3.1473 2.7105 3 3 7 9 10 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 353 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733800000000000000000000000000000120000000000000000000000000000000001E00100000000E14A18002030802C00400880021D2180000000020000008000100000880001E08810006000006A522000001BA00000F00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-allyl-N-carbamoyl-5-methyl-2-oxo-tetrahydrofuran-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyl-3-oxolanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-aminocarbonyl-5-methyl-2-oxidanylidene-3-prop-2-enyl-oxolane-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-allyl-N-carbamoyl-2-keto-5-methyl-tetrahydrofuran-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H14N2O4/c1-3-4-10(7(13)12-9(11)15)5-6(2)16-8(10)14/h3,6H,1,4-5H2,2H3,(H3,11,12,13,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LVJAHKSVOQLCEV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.09535693 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H14N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 98.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.09535693 16 2 0 2 0 0 0 0 1 -1