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

C11H7Cl2NO4 — CID 680611

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NO4/c12-6-1-2-7(8(13)5-6)11(17)18-14-9(15)3-4-10(14)16/h1-2,5H,3-4H2
InChIKeyRKVYTNXYOBDNEH-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.21
Rot. Bonds2

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

(2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate (PubChem CID 680611) has the molecular formula C11H7Cl2NO4 and a molecular weight of 288.09 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate
PubChem CID680611
Molecular FormulaC11H7Cl2NO4
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NO4/c12-6-1-2-7(8(13)5-6)11(17)18-14-9(15)3-4-10(14)16/h1-2,5H,3-4H2
InChIKeyRKVYTNXYOBDNEH-UHFFFAOYSA-N
XLogP2.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.21
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) 2,4-dichlorobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate (CID 680611) is (2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate is O=C(ON1C(=O)CCC1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate?
The InChIKey is RKVYTNXYOBDNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO4/c12-6-1-2-7(8(13)5-6)11(17)18-14-9(15)3-4-10(14)16/h1-2,5H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate?
(2,5-dioxopyrrolidin-1-yl) 2,4-dichlorobenzoate has a molecular weight of 288.09 g/mol, XLogP of 2.21, 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) 2,4-dichlorobenzoate is sourced from PubChem (CID 680611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).