(4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate

C8H9NO6 — CID 4695300

IUPAC(4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1C(=O)NC(=O)C1OC(C)=O
InChIInChI=1S/C8H9NO6/c1-3(10)14-5-6(15-4(2)11)8(13)9-7(5)12/h5-6H,1-2H3,(H,9,12,13)
InChIKeyBOPHLQJBICPEMU-UHFFFAOYSA-N
MW215.16 g/mol
LogP-1.49
Rot. Bonds2

About (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate

(4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate (PubChem CID 4695300) has the molecular formula C8H9NO6 and a molecular weight of 215.16 g/mol. Its IUPAC name is (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate
PubChem CID4695300
Molecular FormulaC8H9NO6
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name(4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1C(=O)NC(=O)C1OC(C)=O
InChIInChI=1S/C8H9NO6/c1-3(10)14-5-6(15-4(2)11)8(13)9-7(5)12/h5-6H,1-2H3,(H,9,12,13)
InChIKeyBOPHLQJBICPEMU-UHFFFAOYSA-N
XLogP-1.49
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Trifluoroacetoxysuccinimide
CID 69027855
2,5-Dioxopyrrolidin-3-yl acetate
CID 10866587
2,5-Pyrrolidinedione, 3-(acetyloxy)-, (3S)-
CID 10931693
(Acetoxyacetoxy)succinimide
CID 129816893
3-Ethoxypyrrolidine-2,5-dione
CID 12333214
3-Butoxypyrrolidine-2,5-dione
CID 12550587
[(3R,4R)-4-acetyloxy-1-methyl-2,5-dioxopyrrolidin-3-yl] acetate
CID 15004085
2,3-cis-Diacetoxysuccinimide
CID 16753700
(2,5-Dioxopyrrolidin-3-yl) methyl carbonate
CID 18009098
(2,5-Dioxopyrrolidin-3-yl) hexanoate
CID 18407530
Tert-butyl (2,5-dioxopyrrolidin-3-yl) carbonate
CID 18424097
2-(2,5-Dioxopyrrolidin-3-yl)oxycarbonyloxyethyl 2-methylpropanoate
CID 21107344

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate?
The IUPAC name of (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate (CID 4695300) is (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate.
What is the SMILES notation for (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate?
The canonical SMILES for (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate is CC(=O)OC1C(=O)NC(=O)C1OC(C)=O.
What is the InChIKey of (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate?
The InChIKey is BOPHLQJBICPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO6/c1-3(10)14-5-6(15-4(2)11)8(13)9-7(5)12/h5-6H,1-2H3,(H,9,12,13).
What are the key properties of (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate?
(4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate has a molecular weight of 215.16 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate is sourced from PubChem (CID 4695300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).