64240342 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 17 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 9 9 10 10 11 11 12 12 12 13 13 14 14 14 15 15 16 8 7 8 9 5 12 22 6 8 17 7 18 19 20 21 10 11 13 14 15 23 24 25 26 16 27 28 29 30 16 31 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 5 4 6 8 17 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 3.732 5.4921 3.732 4.8198 4.232 3.232 2.923 4.5411 3.732 2.866 4.5981 4.4131 2.866 2 4.5981 3.732 4.8444 3.2969 2.6256 2.3566 2.613 5.4364 5.135 4.9795 4.1609 3.8467 2.3291 2.31 1.4631 1.69 5.135 -3.6307 0.6481 0.3693 2.7172 1.9081 1.9081 0.9571 0.9571 -0.6307 -1.1307 -1.1307 3.6307 -2.1307 -0.6307 -2.1307 -2.6307 1.8112 2.5247 2.037 1.2093 0.4201 2.6524 -0.8207 3.8829 4.1971 3.3785 -2.4407 -0.0938 -0.3207 -1.1676 -2.4407 3 8 8 8 8 8 8 5 9 9 10 11 13 15 4 10 11 13 15 16 16 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 272 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000000000000160000000300000000000000000010000001E02100000000C2AC1982432C083C00000880225525000820000210700088881886688086032C1D3B1942008609600C8C8071480000E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methyl-phenyl)-3-(methylamino)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-(methylamino)-2-pyrrolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methylphenyl)-3-(methylamino)pyrrolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-chloro-2-methylphenyl)-3-(methylamino)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-(methylamino)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-(methylamino)-2-pyrrolidone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H15ClN2O/c1-8-7-9(13)3-4-11(8)15-6-5-10(14-2)12(15)16/h3-4,7,10,14H,5-6H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MKHFWPWTTDOKJO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.0872908 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H15ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.71 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)Cl)N2CCC(C2=O)NC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)Cl)N2CCC(C2=O)NC 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 2021.05.07 238.0872908 16 1 0 1 0 0 0 0 1 -1