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

C8H11NO4 — CID 575321

IUPAC(2,5-dioxopyrrolidin-1-yl) butanoate
SMILESCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h2-5H2,1H3
InChIKeyDYMYLBQTHCJHOQ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.39
Rot. Bonds3

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

(2,5-dioxopyrrolidin-1-yl) butanoate (PubChem CID 575321) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) butanoate
PubChem CID575321
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) butanoate
SMILESCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h2-5H2,1H3
InChIKeyDYMYLBQTHCJHOQ-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
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 (2,5-dioxopyrrolidin-1-yl) butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) butanoate (CID 575321) is (2,5-dioxopyrrolidin-1-yl) butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) butanoate is CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) butanoate?
The InChIKey is DYMYLBQTHCJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-8(12)13-9-6(10)4-5-7(9)11/h2-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) butanoate?
(2,5-dioxopyrrolidin-1-yl) butanoate has a molecular weight of 185.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) butanoate is sourced from PubChem (CID 575321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).