ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate

C10H13NO6 — CID 53414786

IUPACethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)CC(OC(C)=O)C1=O
InChIInChI=1S/C10H13NO6/c1-3-16-9(14)5-11-8(13)4-7(10(11)15)17-6(2)12/h7H,3-5H2,1-2H3
InChIKeyXKQAQZIDDXXNOB-UHFFFAOYSA-N
MW243.21 g/mol
LogP-0.76
Rot. Bonds4

About ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate

ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate (PubChem CID 53414786) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate
PubChem CID53414786
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Nameethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)CC(OC(C)=O)C1=O
InChIInChI=1S/C10H13NO6/c1-3-16-9(14)5-11-8(13)4-7(10(11)15)17-6(2)12/h7H,3-5H2,1-2H3
InChIKeyXKQAQZIDDXXNOB-UHFFFAOYSA-N
XLogP-0.76
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-0.76
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 ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate (CID 53414786) is ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate is CCOC(=O)CN1C(=O)CC(OC(C)=O)C1=O.
What is the InChIKey of ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate?
The InChIKey is XKQAQZIDDXXNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c1-3-16-9(14)5-11-8(13)4-7(10(11)15)17-6(2)12/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate?
ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate has a molecular weight of 243.21 g/mol, XLogP of -0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetyloxy-2,5-dioxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 53414786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).