1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione

C10H2Cl5NO2 — CID 71399110

IUPAC1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H2Cl5NO2/c11-5-6(12)8(14)10(9(15)7(5)13)16-3(17)1-2-4(16)18/h1-2H
InChIKeyRDKGIXFNTVBQGK-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.38
Rot. Bonds1

About 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione

1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione (PubChem CID 71399110) has the molecular formula C10H2Cl5NO2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione
PubChem CID71399110
Molecular FormulaC10H2Cl5NO2
Molecular Weight345.40 g/mol
Exact Mass342.85
IUPAC Name1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H2Cl5NO2/c11-5-6(12)8(14)10(9(15)7(5)13)16-3(17)1-2-4(16)18/h1-2H
InChIKeyRDKGIXFNTVBQGK-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione (CID 71399110) is 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione?
The InChIKey is RDKGIXFNTVBQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2Cl5NO2/c11-5-6(12)8(14)10(9(15)7(5)13)16-3(17)1-2-4(16)18/h1-2H.
What are the key properties of 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione?
1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione has a molecular weight of 345.40 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 71399110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).