64240734 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 17 8 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 15 16 16 16 17 17 18 8 7 8 9 5 10 24 6 8 19 7 20 21 22 23 11 13 12 25 26 14 15 16 27 28 17 29 18 30 31 32 33 34 35 36 18 37 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 5 4 6 8 19 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 3.732 5.4921 3.732 4.8198 4.232 3.232 2.923 4.5411 3.732 4.4131 2.866 5.0009 4.5981 2.866 2 4.5942 4.5981 3.732 4.8444 3.2969 2.6256 2.3566 2.613 5.4364 3.9824 3.8991 5.4316 5.5149 5.135 2.3291 2.31 1.4631 1.69 5.1606 4.342 4.0278 5.135 -4.492 -0.2132 -0.492 1.8559 1.0469 1.0469 0.0958 0.0958 -1.492 2.7694 -1.992 3.5784 -1.992 -2.992 -1.492 4.492 -2.992 -3.492 0.9499 1.6635 1.1758 0.348 -0.4411 1.7911 3.2154 2.4227 3.1324 3.9251 -1.682 -3.302 -0.955 -1.182 -2.0289 4.7442 5.0584 4.2398 -3.302 3 8 8 8 8 8 8 5 9 9 11 13 14 17 4 11 13 14 17 18 18 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 298 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 00000371E0732000040000000000000000000000000160000000300000000000000000010000001E02100000000C2AC1982432C083C00000880225525000820000210700088881886688086032C1D3B1942008609600C8C8071480000E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methyl-phenyl)-3-(propylamino)pyrrolidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methylphenyl)-3-(propylamino)-2-pyrrolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloranyl-2-methyl-phenyl)-3-(propylamino)pyrrolidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methyl-phenyl)-3-(propylamino)-2-pyrrolidone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H19ClN2O/c1-3-7-16-12-6-8-17(14(12)18)13-5-4-11(15)9-10(13)2/h4-5,9,12,16H,3,6-8H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZDIUJSNEIFFCRB-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 2021.05.07 266.1185909 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H19ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.76 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCNC1CCN(C1=O)C2=C(C=C(C=C2)Cl)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCNC1CCN(C1=O)C2=C(C=C(C=C2)Cl)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 32.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.1185909 18 1 0 1 0 0 0 0 1 -1