3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione

C12H9Cl2NO2 — CID 709008

IUPAC3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)c(C)c1
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-4-8(7(2)5-6)15-11(16)9(13)10(14)12(15)17/h3-5H,1-2H3
InChIKeyIYKULAKDXHIXJH-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.87
Rot. Bonds1

About 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione

3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 709008) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID709008
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)c(C)c1
InChIInChI=1S/C12H9Cl2NO2/c1-6-3-4-8(7(2)5-6)15-11(16)9(13)10(14)12(15)17/h3-5H,1-2H3
InChIKeyIYKULAKDXHIXJH-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
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 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione (CID 709008) is 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)c(C)c1.
What is the InChIKey of 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is IYKULAKDXHIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6-3-4-8(7(2)5-6)15-11(16)9(13)10(14)12(15)17/h3-5H,1-2H3.
What are the key properties of 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 270.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 709008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).