178052 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 8 7 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 11 11 12 12 12 13 13 14 8 9 4 7 22 10 14 5 8 15 6 16 17 7 18 19 20 21 23 24 10 11 12 13 25 26 27 28 14 29 30 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 4 2 5 8 15 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 4.4487 2.6691 6.1808 3.5827 3.4782 2.5 2 4.4487 5.3147 5.3147 6.1808 4.4487 7.0468 7.0468 3.5502 4.0982 3.543 2.6916 1.9336 1.4984 1.5851 2.5402 5.0593 4.6608 6.1808 4.1387 3.9118 4.7587 7.5837 7.5837 -0.3512 0.742 -2.3512 1.1488 2.1433 2.3512 1.4852 0.6488 -0.8512 -1.8512 -0.3512 -2.3512 -0.8512 -1.8512 0.5296 2.1433 2.7599 2.9409 2.6034 1.8496 1.0244 0.1356 0.5411 1.2314 0.2688 -1.8143 -2.6612 -2.8882 -0.5412 -2.1612 8 8 5 8 8 8 8 3 3 4 9 9 11 13 10 14 8 10 11 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 175 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 00000371E07320000000000000000000000000000001600000002C0000000000000000018000001E0010000000082CE196063E8692C81400A0013467440482882031622008D8A03F6C980E26E2C4B19B873828E4D011D8E807B010000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methyl-3-[[(2S)-2-pyrrolidinyl]methoxy]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methyl-3-[[(2<I>S</I>)-pyrrolidin-2-yl]methoxy]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YRVIKLBSVVNSHF-JTQLQIEISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.126263138 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H16N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=CC=N1)OCC2CCCN2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=CC=N1)OC[C@@H]2CCCN2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.126263138 14 1 1 0 0 0 0 0 1 -1