23897 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 36 37 38 39 40 41 42 43 44 8 8 7 7 6 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 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 9 9 12 12 13 13 13 14 14 14 15 16 16 17 17 18 18 18 19 19 19 20 20 20 16 17 11 7 13 14 10 15 32 6 7 11 21 8 22 23 24 25 10 26 27 10 11 12 15 18 16 28 29 17 30 31 19 33 34 35 36 20 37 38 39 40 41 42 43 44 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 6 7 11 21 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 35 36 37 38 39 40 41 42 43 44 2 6.3301 3.732 8.1424 5.4641 5.4641 4.5981 6.3301 7.1962 7.1962 6.3301 8.1424 3.732 2.866 8.726 2.866 2 8.453 9.726 9.4315 5.4641 4.8535 5.252 4.9966 4.1996 5.9316 6.7287 3.9441 4.3426 3.2646 2.4675 8.335 2.4675 3.2646 1.788 1.3894 8.4325 7.8392 9.726 10.346 9.726 9.5594 10.0382 9.3037 -0.803 1.697 0.197 -1.1077 0.197 -0.803 0.697 -1.303 0.197 -0.803 0.697 0.5018 -0.803 0.697 -0.303 -1.303 0.197 1.4523 -0.303 1.6585 1.047 -0.6953 -1.3856 1.172 1.172 -1.7779 -1.7779 -1.3856 -0.6953 1.172 1.172 -1.697 -1.7779 -1.7779 0.7796 0.0894 2.0719 1.5396 -0.923 -0.303 0.317 1.0518 1.7864 2.2652 8 8 3 8 8 8 4 4 5 9 9 12 10 15 21 10 12 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 354 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 1 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 00000371E07B30000000000000000000000000000001600000003C4000000000000058018000001E00100000000D0CE19E06028093C99400A803847044008280202500200099213844D80A207AC09491870188609000D8C9471C89C09E80000000000000001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-2-methyl-5-(morpholinomethyl)-1,5,6,7-tetrahydroindol-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-2-methyl-5-(4-morpholinylmethyl)-1,5,6,7-tetrahydroindol-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-2-methyl-5-(morpholinomethyl)-1,5,6,7-tetrahydroindol-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KLPWJLBORRMFGK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.183778013 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H24N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.37 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 45.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.183778013 20 1 0 1 0 0 0 0 1 5