53528886 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 32 33 34 8 7 7 6 6 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 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 8 8 8 9 10 10 11 11 12 13 13 14 15 15 16 16 17 18 18 18 9 4 7 9 12 16 18 5 8 19 6 20 21 7 10 11 22 23 24 12 13 25 14 26 15 14 27 28 17 29 17 30 31 32 33 34 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 4 2 5 8 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 31 32 33 34 4.3211 4.6783 6.3758 5.2619 4.6783 3.732 3.732 6.2619 4.9889 2.866 2.866 5.9674 2 2 6.7094 7.3701 7.5763 5.8772 5.5436 5.2156 4.4272 6.2619 6.8819 6.2619 2.866 2.866 1.4631 1.4631 6.6436 7.7858 8.1423 5.3398 5.5682 6.4147 -1.1289 0.5659 -1.5037 1.3706 2.1753 1.8706 0.8706 1.3706 -0.3847 2.3706 0.3706 -0.5909 1.8706 0.8706 0.0795 -1.3975 -0.419 -2.3706 0.8183 2.4846 2.7422 0.7506 1.3706 1.9906 2.9906 -0.2494 2.1806 0.5606 0.696 -1.8575 -0.1658 -2.0615 -2.9081 -2.6797 8 8 3 8 8 8 8 8 8 8 8 8 3 3 4 6 6 7 10 11 12 13 15 16 12 16 8 7 10 11 13 14 15 14 17 17 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 331 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 00000371E0732000000000000000000000000000000162C0000030000000000000005801C000001E00000000000C28C19E043EC0930C1000A8033577540082802037022008D821B864D80860F2C095B1942108608600C8C9871881800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methylindolin-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-2-pyrrolyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methyl-2,3-dihydroindol-1-yl)-(1-methylpyrrol-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methylindolin-1-yl)-(1-methylpyrrol-2-yl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H16N2O/c1-11-10-12-6-3-4-7-13(12)17(11)15(18)14-8-5-9-16(14)2/h3-9,11H,10H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OEBBPLOXVQKKQB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1CC2=CC=CC=C2N1C(=O)C3=CC=CN3C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1CC2=CC=CC=C2N1C(=O)C3=CC=CN3C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 25.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.126263138 18 1 0 1 0 0 0 0 1 -1