71464287 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 8 7 7 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 2 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 10 10 11 12 12 13 13 14 14 15 15 16 9 4 6 8 5 9 20 5 7 17 18 19 9 10 12 13 11 21 11 22 23 14 24 15 25 16 26 16 27 28 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 4 2 5 7 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 3.403 4.269 2.5369 3.403 2.5369 4.269 3.403 5.2152 3.403 5.2152 5.7988 4.269 2.5369 4.269 2.5369 3.403 2.866 2.3249 1.9264 2 5.4078 5.4078 6.4188 4.8059 2 4.8059 2 3.403 -3 -0.5 -1.5 0 -0.5 -1.5 1 -0.1953 -2 -1.8047 -1 1.5 1.5 2.5 2.5 3 0.31 0.0826 -0.6077 -1.81 0.3941 -2.394 -1 1.19 1.19 2.81 2.81 3.62 8 8 3 8 8 8 8 8 8 8 8 8 2 2 4 6 7 7 8 10 12 13 14 15 6 8 7 10 12 13 11 11 14 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 273 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000000000000000000000000000001600000003C400000000000005801C000001E00100000000C28C19E043C8093CC1000A8033577540082802037022008D8A1B864D80860F2C095B1942108609600C8C9871881800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-phenyl-3,4-dihydro-2<I>H</I>-pyrrolo[1,2-a]pyrazin-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H12N2O/c16-13-11-7-4-8-15(11)12(9-14-13)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,14,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YGTMIZFIXYNQSN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.094963011 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H12N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(N2C=CC=C2C(=O)N1)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(N2C=CC=C2C(=O)N1)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.094963011 16 1 0 1 0 0 0 0 1 2