9794656 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 8 8 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 12 12 13 14 14 15 16 17 17 17 4 13 15 17 7 12 31 5 7 18 12 19 20 8 11 13 21 22 9 23 24 10 25 26 11 27 28 14 29 30 15 16 32 16 33 34 35 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 4 1 5 7 18 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 5.0653 3.3332 2.6166 4.1993 4.0948 5.9313 3.2857 6.8776 7.4612 6.8776 5.9313 3.1166 5.0653 5.0653 4.1993 4.1993 2.4672 4.1668 4.7148 4.1596 2.7841 3.5957 7.4149 6.6265 7.922 7.922 6.6265 7.4149 3.3082 2.5502 2 5.0653 3.6623 2.1572 1.9303 2.7772 0.6488 -0.3512 1.4852 1.1488 2.1433 -0.8512 0.742 -0.5465 -1.3512 -2.1559 -1.8512 2.3512 -0.3512 -2.3512 -0.8512 -1.8512 -0.8512 0.5296 2.1433 2.7599 0.3776 0.2051 -0.2373 0.0204 -1.7659 -0.9365 -2.7229 -2.4652 2.9409 2.6034 1.4204 -2.9712 -2.1612 -0.3143 -1.1612 -1.3882 6 8 8 8 8 8 8 4 6 6 11 13 14 15 1 11 13 14 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 259 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 00000371E07230000000000000000000000000000001E2000000300000000000000060010000001E00100000000C14E19806320682C004008002204200000208002020000888800E88880F262284B11A873822A6D0119AA80780C0B00EA0000100001840004000020000308000000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3S)-3-(5-methoxyindan-4-yl)oxypyrrolidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3<I>S</I>)-3-[(5-methoxy-2,3-dihydro-1<I>H</I>-inden-4-yl)oxy]pyrrolidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3S)-3-(5-methoxyindan-4-yl)oxypyrrolidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H19NO2/c1-16-13-6-5-10-3-2-4-12(10)14(13)17-11-7-8-15-9-11/h5-6,11,15H,2-4,7-9H2,1H3/t11-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QDJAYXYEXHVXJV-NSHDSACASA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.141578849 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H19NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C2=C(CCC2)C=C1)OC3CCNC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C2=C(CCC2)C=C1)O[C@H]3CCNC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.141578849 17 1 1 0 0 0 0 0 1 1