2230 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 7 6 6 6 6 6 6 6 6 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 6 6 6 7 7 8 9 9 9 11 11 11 10 11 10 4 5 9 6 12 13 7 14 15 8 16 17 8 10 18 19 20 21 22 23 24 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2.866 2 4.5981 5.4641 3.732 5.4641 3.732 4.5981 4.5981 2.866 2 5.6762 6.0747 3.1215 3.52 6.0747 5.6762 4.5981 3.9781 4.5981 5.2181 2.31 1.4631 1.69 1.75 0.25 -1.25 -0.75 -0.75 0.25 0.25 0.75 -2.25 0.75 2.25 -1.3326 -0.6423 -0.6423 -1.3326 0.1423 0.8326 1.37 -2.25 -2.87 -2.25 2.7869 2.56 1.7131 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 187 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0723000000000000000000000000000000000000000200000000000000000000000001E00000000000C00C18006020803000400880220D208008000002000000008010800480004080021000410000200008821820000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 arecoline InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HJJPJSXJAXAIPN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 155.094629 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H13NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 155.19432 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN1CCC=C(C1)C(=O)OC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN1CCC=C(C1)C(=O)OC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 29.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 155.094629 11 0 0 0 0 0 0 0 1 1