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

C11H8ClNO4 — CID 3634508

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2
InChIKeyNWCJAIZMANMQOO-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.56
Rot. Bonds2

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

(2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate (PubChem CID 3634508) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate
PubChem CID3634508
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2
InChIKeyNWCJAIZMANMQOO-UHFFFAOYSA-N
XLogP1.56
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.56
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-chlorobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate (CID 3634508) is (2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate is O=C(ON1C(=O)CCC1=O)c1ccc(Cl)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate?
The InChIKey is NWCJAIZMANMQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate?
(2,5-dioxopyrrolidin-1-yl) 4-chlorobenzoate has a molecular weight of 253.64 g/mol, XLogP of 1.56, 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) 4-chlorobenzoate is sourced from PubChem (CID 3634508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).