1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione

C8H6N2O5 — CID 126595994

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1ON1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O5/c11-5-1-2-6(12)9(5)15-10-7(13)3-4-8(10)14/h1-2H,3-4H2
InChIKeyJLKCWFXEMDMEAN-UHFFFAOYSA-N
MW210.15 g/mol
LogP-1.09
Rot. Bonds2

About 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione

1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione (PubChem CID 126595994) has the molecular formula C8H6N2O5 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione
PubChem CID126595994
Molecular FormulaC8H6N2O5
Molecular Weight210.15 g/mol
Exact Mass210.03
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1ON1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O5/c11-5-1-2-6(12)9(5)15-10-7(13)3-4-8(10)14/h1-2H,3-4H2
InChIKeyJLKCWFXEMDMEAN-UHFFFAOYSA-N
XLogP-1.09
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione (CID 126595994) is 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione is O=C1C=CC(=O)N1ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione?
The InChIKey is JLKCWFXEMDMEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O5/c11-5-1-2-6(12)9(5)15-10-7(13)3-4-8(10)14/h1-2H,3-4H2.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione?
1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione has a molecular weight of 210.15 g/mol, XLogP of -1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione is sourced from PubChem (CID 126595994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).