5937406 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 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 1 1 1 1 1 1 1 1 2 2 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 13 13 13 14 15 15 16 16 17 17 18 3 14 16 38 12 5 6 19 20 7 21 22 8 23 24 9 25 26 10 27 28 11 29 30 12 31 32 13 33 34 14 35 36 37 15 17 39 18 40 18 41 42 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 2 1 1 1 1 2 1 2 1 1 1 1 12 3 10 14 15 2 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 36 37 38 39 40 41 42 3.732 7.1962 4.5981 3.732 3.732 4.5981 2.866 4.5981 2.866 5.4641 2 5.4641 2 6.3301 6.3301 8.0622 7.1962 8.0622 3.52 3.1215 3.9441 4.3426 4.8101 5.2087 2.654 2.2554 4.386 3.9875 3.0781 3.4766 5.6762 6.0747 1.788 1.3894 1.38 2 2.62 7.1962 5.7932 8.5991 7.1962 8.5991 2.5 2.5 3 -0.5 -1.5 0 -2 1 -3 1.5 -3.5 2.5 -4.5 3 4 3 4.5 4 0.0826 -0.6077 -2.0826 -1.3923 -0.5826 0.1077 -1.4174 -2.1077 1.5826 0.8923 -3.5826 -2.8923 0.9174 1.6077 -2.9174 -3.6077 -4.5 -5.12 -4.5 1.88 4.31 2.69 5.12 4.31 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 329 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0732000000000000000000000000000000000000000200000000000000000000000001C00140000000808C10004020002D000008100244642008000002002000808800800080800020081000000000090000880031080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-2-(1-nitrosodecylidene)-1H-pyridine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-2-(1-nitrosodecylidene)-1H-pyridine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>E</I>)-2-(1-nitrosodecylidene)-1<I>H</I>-pyridine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-2-(1-nitrosodecylidene)-1H-pyridine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-2-(1-nitrosodecylidene)-1H-pyridine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2E)-2-(1-nitrosodecylidene)-1H-pyridine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H24N2O/c1-2-3-4-5-6-7-8-12-15(17-18)14-11-9-10-13-16-14/h9-11,13,16H,2-8,12H2,1H3/b15-14+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RXEQFWRGZFSYCJ-CCEZHUSRSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.188863393 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H24N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.36 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCC(=C1C=CC=CN1)N=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCC/C(=C\1/C=CC=CN1)/N=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.188863393 18 0 0 0 1 1 0 0 1 -1