12480412 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 8 8 7 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 3 3 4 4 5 5 6 6 8 8 9 9 10 10 10 11 11 12 12 13 14 15 15 15 7 14 4 7 10 5 8 6 9 7 11 12 16 13 17 18 19 20 14 21 13 22 23 15 24 25 26 2 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 6 5 7 11 21 14 2 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 6.2619 6.6353 4.6783 3.732 3.732 4.6783 5.2619 2.866 2.866 4.9889 4.9889 2 2 5.9674 6.2781 2.866 2.866 4.3996 5.1815 5.5783 4.5749 1.4631 1.4631 6.8674 6.4707 5.6888 -0.5784 0.6388 -1.3831 -1.0784 -0.0784 0.2264 -0.5784 -1.5784 0.4216 -2.3336 1.1769 -1.0784 -0.0784 1.3831 2.3336 -2.1984 1.0416 -2.5262 -2.9229 -2.141 1.6384 -1.3884 0.2316 2.141 2.9229 2.5262 8 8 8 8 8 8 4 4 5 8 9 12 5 8 9 12 13 13 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 333 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0723000000000000000000000000000000160000000300000000000000058010000001E00000000000C0C81980432C0830000008802A55250008200002102000888010864C8082032C09591842008608600C8C9871C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-3-acetonylidene-1-methyl-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-1-methyl-3-(2-oxopropylidene)-2-indolone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>Z</I>)-1-methyl-3-(2-oxopropylidene)indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-1-methyl-3-(2-oxopropylidene)indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-1-methyl-3-(2-oxidanylidenepropylidene)indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-3-acetonylidene-1-methyl-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CZKBLHCEDVWPRN-YFHOEESVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 201.078978594 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H11NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 201.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C=C1C2=CC=CC=C2N(C1=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)/C=C\1/C2=CC=CC=C2N(C1=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 37.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 201.078978594 15 0 0 0 1 1 0 0 1 -1