68793 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 38 8 8 8 8 7 7 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 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 17 17 17 18 18 18 15 16 19 20 9 15 17 10 16 18 8 19 37 20 38 11 21 22 12 23 24 13 25 26 14 27 28 15 29 30 16 31 32 19 33 34 20 35 36 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 35 36 37 38 7.1672 4.5691 3.675 4.5411 5.4071 2.809 4.5411 3.675 4.5981 2 4.9071 2.309 5.9071 3.309 6.2161 3.618 5.4071 2.809 4.5411 3.675 4.0317 4.2881 1.69 1.4336 4.9719 4.3006 1.7026 2.3738 6.5135 5.8423 3.2442 3.9155 5.6192 6.0177 2.597 2.1984 5.078 3.1381 3.0288 -3.0288 1.75 -1.75 2.75 -2.75 0.25 -0.25 3.3378 -3.3378 4.2888 -4.2888 4.2888 -4.2888 3.3378 -3.3378 1.75 -1.75 1.25 -1.25 3.59 2.8008 -2.8008 -3.59 4.9054 4.4178 -4.4178 -4.9054 4.4178 4.9054 -4.9054 -4.4178 1.1674 1.8577 -1.1674 -1.8577 -0.06 0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 397 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E073B800000000000000000000000000000162C00000000000000000000000000000001E00180000000800C180040000036200000800011010000000000000021220018800000040100080201400000016008000000400000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-oxopyrrolidin-1-yl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-[1-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]-2-(2-oxo-1-pyrrolidinyl)acetohydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-oxopyrrolidin-1-yl)-<I>N</I>&apos;-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-oxopyrrolidin-1-yl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-oxidanylidenepyrrolidin-1-yl)-N'-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoyl]ethanehydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-ketopyrrolidino)-N'-[2-(2-ketopyrrolidino)acetyl]acetohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H18N4O4/c17-9(7-15-5-1-3-11(15)19)13-14-10(18)8-16-6-2-4-12(16)20/h1-8H2,(H,13,17)(H,14,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YPUPYVWSTBYCBY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 282.13280507 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H18N4O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 282.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(=O)N(C1)CC(=O)NNC(=O)CN2CCCC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(=O)N(C1)CC(=O)NNC(=O)CN2CCCC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 98.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 282.13280507 20 0 0 0 0 0 0 0 1 10