3-hydroperoxypyrrolidine-2,5-dione

C4H5NO4 — CID 141263831

IUPAC3-hydroperoxypyrrolidine-2,5-dione
SMILESO=C1CC(OO)C(=O)N1
InChIInChI=1S/C4H5NO4/c6-3-1-2(9-8)4(7)5-3/h2,8H,1H2,(H,5,6,7)
InChIKeyMERDJMUVRYIPEF-UHFFFAOYSA-N
MW131.09 g/mol
LogP-1.11
Rot. Bonds1

About 3-hydroperoxypyrrolidine-2,5-dione

3-hydroperoxypyrrolidine-2,5-dione (PubChem CID 141263831) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is 3-hydroperoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroperoxypyrrolidine-2,5-dione
PubChem CID141263831
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name3-hydroperoxypyrrolidine-2,5-dione
SMILESO=C1CC(OO)C(=O)N1
InChIInChI=1S/C4H5NO4/c6-3-1-2(9-8)4(7)5-3/h2,8H,1H2,(H,5,6,7)
InChIKeyMERDJMUVRYIPEF-UHFFFAOYSA-N
XLogP-1.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxypyrrolidine-2,5-dione?
The IUPAC name of 3-hydroperoxypyrrolidine-2,5-dione (CID 141263831) is 3-hydroperoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroperoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroperoxypyrrolidine-2,5-dione is O=C1CC(OO)C(=O)N1.
What is the InChIKey of 3-hydroperoxypyrrolidine-2,5-dione?
The InChIKey is MERDJMUVRYIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4/c6-3-1-2(9-8)4(7)5-3/h2,8H,1H2,(H,5,6,7).
What are the key properties of 3-hydroperoxypyrrolidine-2,5-dione?
3-hydroperoxypyrrolidine-2,5-dione has a molecular weight of 131.09 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxypyrrolidine-2,5-dione is sourced from PubChem (CID 141263831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).