68981585 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 43 44 45 46 8 8 8 7 6 6 6 6 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 2 2 3 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 9 10 10 10 10 11 11 11 12 12 13 13 14 14 15 16 16 17 18 18 19 19 20 22 22 22 23 23 23 9 20 22 21 23 7 8 9 6 7 24 25 8 26 27 28 29 30 31 16 11 12 32 33 13 34 35 14 18 15 17 15 19 36 17 37 38 20 39 21 40 21 41 42 43 44 45 46 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 2 2 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 16 9 37 17 13 38 3 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 43 44 45 46 8.9904 2 2 9.8622 11.4461 10.9495 10.7741 9.9705 8.9942 5.492 6.3981 4.5981 6.3981 4.5981 5.492 8.1301 7.2622 3.732 3.732 2.866 2.866 2 2 11.8592 11.9491 11.5168 10.7601 10.4621 11.2743 9.9081 9.3505 5.8856 5.0874 7.0089 6.6071 5.4848 8.1325 7.2598 3.732 3.732 2.62 2 1.38 1.38 2 2.62 -2.0154 1.0154 -0.9846 -0.5188 -0.1885 0.6795 -0.929 0.4754 -1.0154 1.0501 0.5362 0.5154 -0.5054 -0.4846 -1.0192 -0.5121 -1.0087 1.0154 -0.9846 0.5154 -0.4846 2.0154 -1.9846 -0.6508 0.174 0.9295 1.2699 -1.4648 -1.2954 1.0922 0.4777 1.5291 1.5199 0.4301 1.1199 -1.6392 0.1079 -1.6287 1.6354 -1.6046 2.0154 2.6354 2.0154 -1.9846 -2.6046 -1.9846 8 8 8 1 8 8 8 12 12 14 16 18 19 20 14 18 19 17 20 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 479 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A3000000000000000000000000000000160000000304000000000000000810000001E00000000000C04C198063206830004008802215210008208002020000888000E88C80D262284B11A84302224C6118AA98780C0F00EA0000100001040004000020000208000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-pyrrolidin-1-yl-prop-2-en-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-(1-pyrrolidinyl)-2-propen-1-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-pyrrolidin-1-yl-prop-2-en-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-pyrrolidino-prop-2-en-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H23NO3/c1-22-17-12-15-7-5-14(11-16(15)13-18(17)23-2)6-8-19(21)20-9-3-4-10-20/h6,8,11-13H,3-5,7,9-10H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZNPXNLZCTPYELV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.16779360 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H23NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C2C=C(CCC2=C1)C=CC(=O)N3CCCC3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C2C=C(CCC2=C1)C=CC(=O)N3CCCC3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 38.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.16779360 23 0 0 0 1 0 1 0 1 -1