carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate

C6H6N2O6 — CID 141261019

IUPACcarbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate
SMILESNC(=O)OOC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C6H6N2O6/c7-5(11)13-14-6(12)8-3(9)1-2-4(8)10/h1-2H2,(H2,7,11)
InChIKeyUHXKQYBBIFDXEY-UHFFFAOYSA-N
MW202.12 g/mol
LogP-0.72
Rot. Bonds

About carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate

carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate (PubChem CID 141261019) has the molecular formula C6H6N2O6 and a molecular weight of 202.12 g/mol. Its IUPAC name is carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate.

Molecular Properties

Compound Namecarbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate
PubChem CID141261019
Molecular FormulaC6H6N2O6
Molecular Weight202.12 g/mol
Exact Mass202.02
IUPAC Namecarbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate
SMILESNC(=O)OOC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C6H6N2O6/c7-5(11)13-14-6(12)8-3(9)1-2-4(8)10/h1-2H2,(H2,7,11)
InChIKeyUHXKQYBBIFDXEY-UHFFFAOYSA-N
XLogP-0.72
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

sulfo 2,5-dioxopyrrolidine-1-carboxylate
CID 140642437
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
2,5-dioxopyrrolidine-1-carbonyl chloride
CID 45081360
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
ethyl 2,4-dioxoazetidine-1-carboxylate
CID 59960013
N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide
CID 175006917
1-(2-bromoacetyl)pyrrolidine-2,5-dione
CID 45080681
2,5-dioxopyrrolidine-1-carbodithioic acid
CID 10552626
1-(2,2-dimethylbutanoyl)pyrrolidine-2,5-dione
CID 118119759
(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
CID 159138690
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
1-(2,2-dimethylpropanoyl)pyrrolidine-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate
CID 159060589

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate?
The IUPAC name of carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate (CID 141261019) is carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate.
What is the SMILES notation for carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate?
The canonical SMILES for carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate is NC(=O)OOC(=O)N1C(=O)CCC1=O.
What is the InChIKey of carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate?
The InChIKey is UHXKQYBBIFDXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O6/c7-5(11)13-14-6(12)8-3(9)1-2-4(8)10/h1-2H2,(H2,7,11).
What are the key properties of carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate?
carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate has a molecular weight of 202.12 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate is sourced from PubChem (CID 141261019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).