bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide

C22H25I4N4O18- — CID 161205340

IUPACbis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide
SMILESCO.COC(=O)ON1C(=O)CCC1=O.I.I[I-]I.O=C(ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O.[C-]#[O+]
InChIInChI=1S/C10H8N2O8.C6H7NO5.C4H5NO3.CH4O.CO.I3.HI/c13-5-1-2-6(14)11(5)19-9(17)10(18)20-12-7(15)3-4-8(12)16;1-11-6(10)12-7-4(8)2-3-5(7)9;6-3-1-2-4(7)5(3)8;2*1-2;1-3-2;/h1-4H2;2-3H2,1H3;8H,1-2H2;2H,1H3;;;1H/q;;;;;-1;
InChIKeyPECFXEBHVMAOGK-UHFFFAOYSA-N
MW1141.07 g/mol
LogP-3.48
Rot. Bonds3

About bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide

bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide (PubChem CID 161205340) has the molecular formula C22H25I4N4O18- and a molecular weight of 1141.07 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide
PubChem CID161205340
Molecular FormulaC22H25I4N4O18-
Molecular Weight1141.07 g/mol
Exact Mass1140.73
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide
SMILESCO.COC(=O)ON1C(=O)CCC1=O.I.I[I-]I.O=C(ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O.[C-]#[O+]
InChIInChI=1S/C10H8N2O8.C6H7NO5.C4H5NO3.CH4O.CO.I3.HI/c13-5-1-2-6(14)11(5)19-9(17)10(18)20-12-7(15)3-4-8(12)16;1-11-6(10)12-7-4(8)2-3-5(7)9;6-3-1-2-4(7)5(3)8;2*1-2;1-3-2;/h1-4H2;2-3H2,1H3;8H,1-2H2;2H,1H3;;;1H/q;;;;;-1;
InChIKeyPECFXEBHVMAOGK-UHFFFAOYSA-N
XLogP-3.48
TPSA298.01 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.07
LogP ≤ 5-3.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide with MolForge

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Related Compounds

(4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate
CID 162737097
cyclobutanol;cyclobutyl (2,5-dioxopyrrolidin-1-yl) carbonate;1-hydroxypyrrolidine-2,5-dione;methane;methyl trichloromethyl carbonate
CID 159299534
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
bis(2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)ethyl carbonate;methane;2-(2-methoxyethoxy)ethanol;molecular iodine;triiodide;hydroiodide
CID 158016260
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2-chloro-2-oxoethyl) acetate;(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate;1-hydroxypyrrolidine-2,5-dione
CID 161222115
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454
2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate
CID 175504057
(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate
CID 175750111
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide (CID 161205340) is bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide is CO.COC(=O)ON1C(=O)CCC1=O.I.I[I-]I.O=C(ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O.[C-]#[O+].
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide?
The InChIKey is PECFXEBHVMAOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O8.C6H7NO5.C4H5NO3.CH4O.CO.I3.HI/c13-5-1-2-6(14)11(5)19-9(17)10(18)20-12-7(15)3-4-8(12)16;1-11-6(10)12-7-4(8)2-3-5(7)9;6-3-1-2-4(7)5(3)8;2*1-2;1-3-2;/h1-4H2;2-3H2,1H3;8H,1-2H2;2H,1H3;;;1H/q;;;;;-1;.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide?
bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide has a molecular weight of 1141.07 g/mol, XLogP of -3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) oxalate;carbon monoxide;(2,5-dioxopyrrolidin-1-yl) methyl carbonate;1-hydroxypyrrolidine-2,5-dione;methanol;triiodide;hydroiodide is sourced from PubChem (CID 161205340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).