3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione

C8H8N2O5 — CID 141162707

IUPAC3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione
SMILESO=C1CC(C2CC(=O)N(O)C2=O)C(=O)N1
InChIInChI=1S/C8H8N2O5/c11-5-1-3(7(13)9-5)4-2-6(12)10(15)8(4)14/h3-4,15H,1-2H2,(H,9,11,13)
InChIKeyBLPDQXWPRZHKAE-UHFFFAOYSA-N
MW212.16 g/mol
LogP-1.59
Rot. Bonds1

About 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione

3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione (PubChem CID 141162707) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione
PubChem CID141162707
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione
SMILESO=C1CC(C2CC(=O)N(O)C2=O)C(=O)N1
InChIInChI=1S/C8H8N2O5/c11-5-1-3(7(13)9-5)4-2-6(12)10(15)8(4)14/h3-4,15H,1-2H2,(H,9,11,13)
InChIKeyBLPDQXWPRZHKAE-UHFFFAOYSA-N
XLogP-1.59
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione (CID 141162707) is 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione is O=C1CC(C2CC(=O)N(O)C2=O)C(=O)N1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is BLPDQXWPRZHKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c11-5-1-3(7(13)9-5)4-2-6(12)10(15)8(4)14/h3-4,15H,1-2H2,(H,9,11,13).
What are the key properties of 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione?
3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 212.16 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 141162707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).