9577995 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 8 7 7 7 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 2 2 2 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 14 14 14 3 14 9 10 11 12 13 6 7 8 15 9 12 16 10 17 18 11 19 20 21 22 23 24 25 26 13 27 28 29 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 5 12 9 16 2 1 3 -1 1 12 6 13 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 2.2588 5.6861 3.2247 2.0694 5.4273 4.4495 4.0546 6.8262 5.3155 3.7126 7.085 3.4836 2.7765 2 5.4454 4.3686 3.4762 4.289 6.6313 7.4202 5.8972 5.0523 3.5183 3.1268 7.679 7.28 2.5989 1.8395 1.4011 1.4621 -0.8701 1.2033 -1.1768 -1.836 -0.0215 -2.428 -2.3448 0.4785 -1.4884 -1.3789 0.2374 -0.4697 2.428 -2.4558 0.5932 -2.6513 -3.002 -2.9334 -2.5226 0.6931 1.0399 -0.8996 -1.6915 -1.5567 -0.7904 2.5885 3.0269 2.2676 5 6 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 283 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000000000000000000000000000000000000002C58B0000000000000000000001E00040000000D08C100060200031000003005002000000000000000000000003800000080020080000400000000008000091000000E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3Z,3R)-N-methoxyquinuclidine-3-carboximidoyl cyanide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2Z)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxyiminoacetonitrile IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3<I>Z</I>,3<I>R</I>)-<I>N</I>-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3Z,3R)-N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2Z)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxyimino-ethanenitrile IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2Z)-2-methyloximino-2-[(3R)-quinuclidin-3-yl]acetonitrile InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IQWCBYSUUOFOMF-QTLFRQQHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.121512110 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H15N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CON=C(C#N)C1CN2CCC1CC2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CO/N=C(\C#N)/[C@H]1CN2CCC1CC2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 48.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.121512110 14 1 1 0 1 1 0 0 1 -1