1-(3,4-dichlorophenyl)pyrrole-2,5-dione

C10H5Cl2NO2 — CID 708301

IUPAC1-(3,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-5H
InChIKeyPJBXBDSTURWRBO-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.42
Rot. Bonds1

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

1-(3,4-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 708301) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pyrrole-2,5-dione
PubChem CID708301
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name1-(3,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-5H
InChIKeyPJBXBDSTURWRBO-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propanil
CID 4933
3,4-Dichloroacetanilide
CID 16530
Chloranocryl
CID 16560
1-(2-chlorophenyl)-1H-pyrrole-2,5-dione
CID 14550
1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione
CID 15400
2-chloro-N-(3,4-dichlorophenyl)acetamide
CID 234744
1-(2,4-dichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 243249
1-(3-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 248003
1-(3-Chloro-4-fluorophenyl)-1H-pyrrole-2,5-dione
CID 543176
2,2,2-Trichloro-N-(3,4-dichlorophenyl)acetamide
CID 308066
3-Chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione
CID 779754
3-Chloro-1-(3,4-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 1180676

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)pyrrole-2,5-dione (CID 708301) is 1-(3,4-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is PJBXBDSTURWRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-5H.
What are the key properties of 1-(3,4-dichlorophenyl)pyrrole-2,5-dione?
1-(3,4-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 242.06 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 708301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).