1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)

C9H6N2O6Y3-2 — CID 140728791

IUPAC1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)
SMILESO=C1C=CC(=O)[N-]1.O=[C-]ON1C(=O)CCC1=O.[Y].[Y].[Y]
InChIInChI=1S/C5H4NO4.C4H3NO2.3Y/c7-3-10-6-4(8)1-2-5(6)9;6-3-1-2-4(7)5-3;;;/h1-2H2;1-2H,(H,5,6,7);;;/q-1;;;;/p-1
InChIKeyDCXXZOZHGAHSLQ-UHFFFAOYSA-M
MW504.87 g/mol
LogP-0.89
Rot. Bonds2

About 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)

1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium) (PubChem CID 140728791) has the molecular formula C9H6N2O6Y3-2 and a molecular weight of 504.87 g/mol. Its IUPAC name is 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium).

Molecular Properties

Compound Name1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)
PubChem CID140728791
Molecular FormulaC9H6N2O6Y3-2
Molecular Weight504.87 g/mol
Exact Mass504.74
IUPAC Name1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)
SMILESO=C1C=CC(=O)[N-]1.O=[C-]ON1C(=O)CCC1=O.[Y].[Y].[Y]
InChIInChI=1S/C5H4NO4.C4H3NO2.3Y/c7-3-10-6-4(8)1-2-5(6)9;6-3-1-2-4(7)5-3;;;/h1-2H2;1-2H,(H,5,6,7);;;/q-1;;;;/p-1
InChIKeyDCXXZOZHGAHSLQ-UHFFFAOYSA-M
XLogP-0.89
TPSA111.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.87
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,5-Dioxopyrrolidin-1-yl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 22389997
2,5-Dioxopyrrolidin-1-yl 3-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)oxy)propanoate
CID 57755348
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190
1-(2,5-Dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione
CID 126595994
(2,5-Dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate
CID 134308868
(2,5-Dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate
CID 143282311
1-(Oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;yttrium
CID 144791109
1-Aminooxypyrrolidine-2,5-dione;1-methoxypyrrole-2,5-dione
CID 153336194
(2,5-Dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione
CID 161377894
(2,5-Dioxopyrrolidin-1-yl) propanoate;1-methylpyrrole-2,5-dione
CID 162231419
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate
CID 162693646

Frequently Asked Questions

What is the IUPAC name of 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)?
The IUPAC name of 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium) (CID 140728791) is 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium).
What is the SMILES notation for 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)?
The canonical SMILES for 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium) is O=C1C=CC(=O)[N-]1.O=[C-]ON1C(=O)CCC1=O.[Y].[Y].[Y].
What is the InChIKey of 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)?
The InChIKey is DCXXZOZHGAHSLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4NO4.C4H3NO2.3Y/c7-3-10-6-4(8)1-2-5(6)9;6-3-1-2-4(7)5-3;;;/h1-2H2;1-2H,(H,5,6,7);;;/q-1;;;;/p-1.
What are the key properties of 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)?
1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium) has a molecular weight of 504.87 g/mol, XLogP of -0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium) is sourced from PubChem (CID 140728791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).