68221370 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 8 7 7 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 2 2 2 3 3 3 4 4 4 5 5 6 6 8 8 8 9 9 10 10 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 7 4 6 9 5 7 8 5 19 20 21 22 7 10 12 23 24 11 25 11 26 13 14 15 27 28 29 16 30 17 31 18 32 18 33 34 2 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 2 1 2 1 1 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 26 27 28 29 30 31 32 33 34 6.3301 7.1962 5.4641 6.3301 5.4641 7.1962 6.3301 4.5981 8.1424 8.1424 8.726 3.732 9.726 3.732 2.866 2.866 2 2 6.7287 5.9316 5.252 4.8535 4.1996 4.9966 8.335 8.335 9.726 10.346 9.726 4.269 2.866 2.866 1.4631 1.4631 -1.5 1 -0 1.5 1 -0 -0.5 -0.5 1.3047 -0.3047 0.5 -0 0.5 1 -0.5 1.5 -0 1 1.975 1.975 1.5826 0.8923 -0.9749 -0.9749 1.8941 -0.8941 -0.12 0.5 1.12 1.31 -1.12 2.12 -0.31 1.31 8 8 8 8 8 8 8 8 8 8 8 2 2 6 9 10 12 12 14 15 16 17 6 9 10 11 11 14 15 16 17 18 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 312 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07320000000000000000000000000000001600000003C400000000000005801C000001E00000000000C08C19E043E80930C1000A8033577540082802037022008D821B864D80860F2C095B1942108608600C8C9871881000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-benzyl-7-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-2-(phenylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-benzyl-7-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-benzyl-7-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methyl-2-(phenylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-benzyl-7-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H16N2O/c1-12-9-14-15(18)17(8-7-16(14)10-12)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NHJXQKFUMYLTAV-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 2021.05.07 240.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN2CCN(C(=O)C2=C1)CC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN2CCN(C(=O)C2=C1)CC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 25.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.126263138 18 0 0 0 0 0 0 0 1 -1