1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione

C7H11NO5 — CID 154979386

IUPAC1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione
SMILESCOCCOON1C(=O)CCC1=O
InChIInChI=1S/C7H11NO5/c1-11-4-5-12-13-8-6(9)2-3-7(8)10/h2-5H2,1H3
InChIKeyJLENPXIOEVCQMM-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.35
Rot. Bonds5

About 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione

1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione (PubChem CID 154979386) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione
PubChem CID154979386
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione
SMILESCOCCOON1C(=O)CCC1=O
InChIInChI=1S/C7H11NO5/c1-11-4-5-12-13-8-6(9)2-3-7(8)10/h2-5H2,1H3
InChIKeyJLENPXIOEVCQMM-UHFFFAOYSA-N
XLogP-0.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-(3-methoxypropoxy)pyrrolidine-2,5-dione
CID 59274176
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
CID 172913564
CID 172913564
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate
CID 59499271
(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate
CID 175750111
2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid
CID 91492503
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid
CID 159021328

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione (CID 154979386) is 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione is COCCOON1C(=O)CCC1=O.
What is the InChIKey of 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione?
The InChIKey is JLENPXIOEVCQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-11-4-5-12-13-8-6(9)2-3-7(8)10/h2-5H2,1H3.
What are the key properties of 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione?
1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione has a molecular weight of 189.17 g/mol, XLogP of -0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione is sourced from PubChem (CID 154979386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).