270885 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 8 8 8 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 2 3 4 4 4 5 5 5 5 6 6 7 7 7 9 9 10 10 11 11 11 11 13 13 14 14 8 12 13 12 6 8 9 6 7 15 16 17 18 8 19 20 10 21 22 23 12 24 25 26 14 27 28 29 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 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 3.8505 2.269 1.403 2.0904 1.5904 1.2814 2.5904 2.8994 2.0904 1.2244 0.5369 1.403 3.135 4.001 1.6552 0.984 0.715 0.9714 3.1969 2.5256 2.6274 0.6875 1.2244 0.8469 0 0.2269 3.135 4.538 4.001 6.5188 1.5 0 6.24 7.7788 6.8278 7.7788 6.8278 5.24 4.74 1.5 1 1 1.5 8.3954 7.9078 7.08 6.2908 7.9078 8.3954 4.93 5.05 4.12 2.0369 1.81 0.9631 0.38 1.19 2.12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 186 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 0 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 00000371C0723000000000000000000000000000000160000000000000000000000000000000001E00000000000800E180060208030004008800019658000008000002000800010800000000100080000400000006008000000400000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 vinyl acetate;1-vinylpyrrolidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid ethenyl ester;1-ethenyl-2-pyrrolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethenyl acetate;1-ethenylpyrrolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethenyl acetate;1-ethenylpyrrolidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethenyl ethanoate;1-ethenylpyrrolidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acetic acid vinyl ester;1-vinyl-2-pyrrolidone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H9NO.C4H6O2/c1-2-7-5-3-4-6(7)8;1-3-6-4(2)5/h2H,1,3-5H2;3H,1H2,2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FYUWIEKAVLOHSE-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.10519334 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H15NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)OC=C.C=CN1CCCC1=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)OC=C.C=CN1CCCC1=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.10519334 14 0 0 0 0 0 0 0 2 -1