10466404 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 35 8 7 7 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 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 13 14 15 15 16 16 17 14 35 4 7 10 12 13 31 5 8 18 6 19 20 7 21 22 23 24 9 25 26 11 12 27 28 29 13 14 30 15 16 17 32 17 33 34 1 1 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 2 1 1 1 2 2 1 1 1 1 4 2 8 5 18 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 27 28 29 30 31 32 33 34 35 2.866 6.3758 4.6783 5.9674 6.7094 7.5763 7.3701 4.9889 4.6783 5.8772 3.732 5.2619 3.732 2.866 2.866 2 2 5.5781 6.248 7.073 7.8275 8.1663 7.9868 7.3712 4.9684 4.3751 6.4147 5.5682 5.3398 5.8819 4.8709 2.866 1.4631 1.4631 2.3291 0.8264 1.7007 -1.9783 0.7879 0.1175 0.616 1.5945 0.5817 -0.3688 2.5676 -0.6736 -1.1736 -1.6736 -0.1736 -2.1736 -0.6736 -1.6736 1.2704 -0.2966 -0.3847 0.0491 0.8066 1.6582 2.2145 1.2013 0.669 2.8767 3.1051 2.2586 -1.1736 -2.5676 -2.7936 -0.3636 -1.9836 1.1364 8 8 6 8 8 8 8 8 8 8 8 3 3 4 9 9 11 11 13 14 15 16 12 13 8 11 12 13 14 15 16 17 17 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 271 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0732000000000000000000000000000000162C0000030000000000000005801F000001E00100800000C2CC19E043EC6F3C99200A0033467440082802031222008D9A03E6C980826E2C2919384700866D019C8D807B0D0E30E80000002000A00000000000400140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indol-4-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(2<I>R</I>)-1-methylpyrrolidin-2-yl]methyl]-1<I>H</I>-indol-4-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H18N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,9,11,15,17H,3-4,7-8H2,1H3/t11-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XYRKPZYRLSWABB-LLVKDONJSA-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 2021.05.07 230.141913202 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H18N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1CCCC1CC2=CNC3=C2C(=CC=C3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1CCC[C@@H]1CC2=CNC3=C2C(=CC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 39.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.141913202 17 1 1 0 0 0 0 0 1 -1