854019 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 8 7 7 6 6 6 6 6 6 6 6 6 6 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 8 8 9 9 9 10 10 11 12 12 13 7 4 7 9 11 13 5 8 14 6 15 16 7 17 18 10 11 19 20 21 12 22 23 13 24 25 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 4 2 5 8 14 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 2.6723 2.9511 4.6261 3.7601 4.5691 4.2601 3.2601 3.7601 2 2.894 4.6261 2.894 3.7601 4.3125 4.8791 5.1355 4.8665 4.1953 1.8084 1.4103 2.1916 2.3571 5.163 2.3571 3.7601 2.6739 0.9139 -2.1739 0.3261 0.9139 1.8649 1.8649 -0.6739 0.6048 -1.1739 -1.1739 -2.1739 -2.6739 0.0446 0.3769 1.166 1.9938 2.4815 1.1945 0.4132 0.0152 -0.8639 -0.8639 -2.4839 -3.2939 8 8 5 8 8 8 8 3 3 4 8 8 10 12 11 13 8 10 11 12 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 205 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000000000000000000000000000001600000002C0000000000000000018000001E00000000000C28C19A043E8093081000A8023177540082802031022008D8213864980820F2C0D191842008608600C8C8071C88808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5<I>S</I>)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UIKROCXWUNQSPJ-VIFPVBQESA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.094963011 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H12N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C(CCC1=O)C2=CN=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1[C@@H](CCC1=O)C2=CN=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 33.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 176.094963011 13 1 1 0 0 0 0 0 1 3