3-(2,3-dichlorophenyl)pyrrole-2,5-dione

C10H5Cl2NO2 — CID 22352874

IUPAC3-(2,3-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc(Cl)c2Cl)C(=O)N1
InChIInChI=1S/C10H5Cl2NO2/c11-7-3-1-2-5(9(7)12)6-4-8(14)13-10(6)15/h1-4H,(H,13,14,15)
InChIKeyXGWMJKJSKKTMQW-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.03
Rot. Bonds1

About 3-(2,3-dichlorophenyl)pyrrole-2,5-dione

3-(2,3-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 22352874) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)pyrrole-2,5-dione
PubChem CID22352874
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name3-(2,3-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc(Cl)c2Cl)C(=O)N1
InChIInChI=1S/C10H5Cl2NO2/c11-7-3-1-2-5(9(7)12)6-4-8(14)13-10(6)15/h1-4H,(H,13,14,15)
InChIKeyXGWMJKJSKKTMQW-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dichlorophenyl)pyrrole-2,5-dione (CID 22352874) is 3-(2,3-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dichlorophenyl)pyrrole-2,5-dione is O=C1C=C(c2cccc(Cl)c2Cl)C(=O)N1.
What is the InChIKey of 3-(2,3-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is XGWMJKJSKKTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-7-3-1-2-5(9(7)12)6-4-8(14)13-10(6)15/h1-4H,(H,13,14,15).
What are the key properties of 3-(2,3-dichlorophenyl)pyrrole-2,5-dione?
3-(2,3-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 242.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 22352874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).