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

C8H11NO4 — CID 14167935

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-6(10)13-5-4-9-7(11)2-3-8(9)12/h2-5H2,1H3
InChIKeyZDUSSQMGOYSNRW-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.30
Rot. Bonds3

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

2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate (PubChem CID 14167935) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate
PubChem CID14167935
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-6(10)13-5-4-9-7(11)2-3-8(9)12/h2-5H2,1H3
InChIKeyZDUSSQMGOYSNRW-UHFFFAOYSA-N
XLogP-0.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrolidin-1-yl)ethyl acetate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate (CID 14167935) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate is CC(=O)OCCN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate?
The InChIKey is ZDUSSQMGOYSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-6(10)13-5-4-9-7(11)2-3-8(9)12/h2-5H2,1H3.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate has a molecular weight of 185.18 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate is sourced from PubChem (CID 14167935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).