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

C11H9NO4 — CID 716426

IUPAC(2,5-dioxopyrrolidin-1-yl) benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C11H9NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyBVUOEDOMUOJKOY-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.91
Rot. Bonds2

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

(2,5-dioxopyrrolidin-1-yl) benzoate (PubChem CID 716426) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) benzoate
PubChem CID716426
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C11H9NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyBVUOEDOMUOJKOY-UHFFFAOYSA-N
XLogP0.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.91
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) benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) benzoate (CID 716426) is (2,5-dioxopyrrolidin-1-yl) benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) benzoate is O=C(ON1C(=O)CCC1=O)c1ccccc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) benzoate?
The InChIKey is BVUOEDOMUOJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) benzoate?
(2,5-dioxopyrrolidin-1-yl) benzoate has a molecular weight of 219.20 g/mol, XLogP of 0.91, 2 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) benzoate is sourced from PubChem (CID 716426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).