79182 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 8 8 7 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 1 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 12 12 12 13 13 14 14 15 15 15 16 16 16 13 14 11 9 10 11 5 6 17 18 7 19 20 8 21 22 11 23 24 12 25 26 13 27 28 14 29 30 15 31 32 33 34 35 36 16 37 38 39 40 41 1 1 2 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 1 1 1 1 1 1 1 1 1 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 30 31 32 33 34 35 36 37 38 39 40 41 5.4641 6.3301 5.4641 3.732 4.5981 3.732 4.5981 2.866 6.3301 4.5981 5.4641 2.866 6.3301 4.5981 2 2 3.52 3.1215 4.8101 5.2087 3.9441 4.3426 4.386 3.9875 2.654 2.2554 6.5422 6.9407 3.9875 4.386 3.0781 3.4766 6.9407 6.5422 4.386 3.9875 1.788 1.3894 1.38 2 2.62 4.5 1 2.5 -0.5 0 -1.5 1 -2 3 3 1.5 -3 4 4 -3.5 -4.5 0.0826 -0.6077 -0.5826 0.1077 -2.0826 -1.3923 1.5826 0.8923 -1.4174 -2.1077 2.4174 3.1077 3.1077 2.4174 -3.5826 -2.8923 3.8923 4.5826 4.5826 3.8923 -2.9174 -3.6077 -4.5 -5.12 -4.5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 188 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07230000000000000000000000000000000000000002C0000000000000000000000001E00000000000800E180060200030004000800011010000000000000000000010800000200120080000700000006009000011888808000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholinononan-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-morpholinyl)-1-nonanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholin-4-ylnonan-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholin-4-ylnonan-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholin-4-ylnonan-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholinononan-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-13(15)14-9-11-16-12-10-14/h2-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NBRDJXSTGSUITP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.188529040 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H25NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCC(=O)N1CCOCC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCC(=O)N1CCOCC1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.188529040 16 0 0 0 0 0 0 0 1 -1