1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione

C10H10N2O6 — CID 76611721

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOON1C(=O)CCC1=O
InChIInChI=1S/C10H10N2O6/c13-7-1-2-8(14)11(7)5-6-17-18-12-9(15)3-4-10(12)16/h1-2H,3-6H2
InChIKeyDZDAGRJFFVDDSC-UHFFFAOYSA-N
MW254.20 g/mol
LogP-1.08
Rot. Bonds5

About 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione

1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione (PubChem CID 76611721) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione
PubChem CID76611721
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOON1C(=O)CCC1=O
InChIInChI=1S/C10H10N2O6/c13-7-1-2-8(14)11(7)5-6-17-18-12-9(15)3-4-10(12)16/h1-2H,3-6H2
InChIKeyDZDAGRJFFVDDSC-UHFFFAOYSA-N
XLogP-1.08
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione (CID 76611721) is 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOON1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione?
The InChIKey is DZDAGRJFFVDDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c13-7-1-2-8(14)11(7)5-6-17-18-12-9(15)3-4-10(12)16/h1-2H,3-6H2.
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione?
1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione has a molecular weight of 254.20 g/mol, XLogP of -1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethyl]pyrrole-2,5-dione is sourced from PubChem (CID 76611721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).