(2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate

C13H11NO4 — CID 71331742

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H11NO4/c1-2-9-3-5-10(6-4-9)13(17)18-14-11(15)7-8-12(14)16/h2-6H,1,7-8H2
InChIKeyXJASSHAGBIULRL-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.55
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate

(2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate (PubChem CID 71331742) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate
PubChem CID71331742
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H11NO4/c1-2-9-3-5-10(6-4-9)13(17)18-14-11(15)7-8-12(14)16/h2-6H,1,7-8H2
InChIKeyXJASSHAGBIULRL-UHFFFAOYSA-N
XLogP1.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.55
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) 4-ethenylbenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate (CID 71331742) is (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate is C=Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate?
The InChIKey is XJASSHAGBIULRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-2-9-3-5-10(6-4-9)13(17)18-14-11(15)7-8-12(14)16/h2-6H,1,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate?
(2,5-dioxopyrrolidin-1-yl) 4-ethenylbenzoate has a molecular weight of 245.23 g/mol, XLogP of 1.55, 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) 4-ethenylbenzoate is sourced from PubChem (CID 71331742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).