3-(hydroxyamino)pyrrolidine-2,5-dione

C4H6N2O3 — CID 22569755

IUPAC3-(hydroxyamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NO)C(=O)N1
InChIInChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h2,6,9H,1H2,(H,5,7,8)
InChIKeyTZPRWZNNLUOTGE-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.62
Rot. Bonds1

About 3-(hydroxyamino)pyrrolidine-2,5-dione

3-(hydroxyamino)pyrrolidine-2,5-dione (PubChem CID 22569755) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3-(hydroxyamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(hydroxyamino)pyrrolidine-2,5-dione
PubChem CID22569755
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name3-(hydroxyamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NO)C(=O)N1
InChIInChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h2,6,9H,1H2,(H,5,7,8)
InChIKeyTZPRWZNNLUOTGE-UHFFFAOYSA-N
XLogP-1.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(hydroxyamino)pyrrolidine-2,5-dione (CID 22569755) is 3-(hydroxyamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(hydroxyamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(hydroxyamino)pyrrolidine-2,5-dione is O=C1CC(NO)C(=O)N1.
What is the InChIKey of 3-(hydroxyamino)pyrrolidine-2,5-dione?
The InChIKey is TZPRWZNNLUOTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h2,6,9H,1H2,(H,5,7,8).
What are the key properties of 3-(hydroxyamino)pyrrolidine-2,5-dione?
3-(hydroxyamino)pyrrolidine-2,5-dione has a molecular weight of 130.10 g/mol, XLogP of -1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 22569755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).