1-aminooxypyrrole-2,5-dione

C4H4N2O3 — CID 67427905

IUPAC1-aminooxypyrrole-2,5-dione
SMILESNON1C(=O)C=CC1=O
InChIInChI=1S/C4H4N2O3/c5-9-6-3(7)1-2-4(6)8/h1-2H,5H2
InChIKeyPFGIIVBAIVHXJT-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.28
Rot. Bonds1

About 1-aminooxypyrrole-2,5-dione

1-aminooxypyrrole-2,5-dione (PubChem CID 67427905) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 1-aminooxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-aminooxypyrrole-2,5-dione
PubChem CID67427905
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name1-aminooxypyrrole-2,5-dione
SMILESNON1C(=O)C=CC1=O
InChIInChI=1S/C4H4N2O3/c5-9-6-3(7)1-2-4(6)8/h1-2H,5H2
InChIKeyPFGIIVBAIVHXJT-UHFFFAOYSA-N
XLogP-1.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-aminooxypyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-aminooxypyrrole-2,5-dione?
The IUPAC name of 1-aminooxypyrrole-2,5-dione (CID 67427905) is 1-aminooxypyrrole-2,5-dione.
What is the SMILES notation for 1-aminooxypyrrole-2,5-dione?
The canonical SMILES for 1-aminooxypyrrole-2,5-dione is NON1C(=O)C=CC1=O.
What is the InChIKey of 1-aminooxypyrrole-2,5-dione?
The InChIKey is PFGIIVBAIVHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c5-9-6-3(7)1-2-4(6)8/h1-2H,5H2.
What are the key properties of 1-aminooxypyrrole-2,5-dione?
1-aminooxypyrrole-2,5-dione has a molecular weight of 128.09 g/mol, XLogP of -1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxypyrrole-2,5-dione is sourced from PubChem (CID 67427905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).