(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate

C8H9NO6 — CID 11042130

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9NO6/c1-5(10)14-4-8(13)15-9-6(11)2-3-7(9)12/h2-4H2,1H3
InChIKeyWNMYUHMONJYIFD-UHFFFAOYSA-N
MW215.16 g/mol
LogP-0.84
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate

(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate (PubChem CID 11042130) has the molecular formula C8H9NO6 and a molecular weight of 215.16 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate
PubChem CID11042130
Molecular FormulaC8H9NO6
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9NO6/c1-5(10)14-4-8(13)15-9-6(11)2-3-7(9)12/h2-4H2,1H3
InChIKeyWNMYUHMONJYIFD-UHFFFAOYSA-N
XLogP-0.84
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate (CID 11042130) is (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate is CC(=O)OCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate?
The InChIKey is WNMYUHMONJYIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO6/c1-5(10)14-4-8(13)15-9-6(11)2-3-7(9)12/h2-4H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate?
(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate has a molecular weight of 215.16 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-acetyloxyacetate is sourced from PubChem (CID 11042130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).