3-(4-bromophenyl)pyrrole-2,5-dione

C10H6BrNO2 — CID 19843468

IUPAC3-(4-bromophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C10H6BrNO2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-5H,(H,12,13,14)
InChIKeyYDIFCLVEBRJPOA-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.49
Rot. Bonds1

About 3-(4-bromophenyl)pyrrole-2,5-dione

3-(4-bromophenyl)pyrrole-2,5-dione (PubChem CID 19843468) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)pyrrole-2,5-dione
PubChem CID19843468
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name3-(4-bromophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C10H6BrNO2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-5H,(H,12,13,14)
InChIKeyYDIFCLVEBRJPOA-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.49
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-(4-bromophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-bromophenyl)pyrrole-2,5-dione (CID 19843468) is 3-(4-bromophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-bromophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-bromophenyl)pyrrole-2,5-dione is O=C1C=C(c2ccc(Br)cc2)C(=O)N1.
What is the InChIKey of 3-(4-bromophenyl)pyrrole-2,5-dione?
The InChIKey is YDIFCLVEBRJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-5H,(H,12,13,14).
What are the key properties of 3-(4-bromophenyl)pyrrole-2,5-dione?
3-(4-bromophenyl)pyrrole-2,5-dione has a molecular weight of 252.07 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 19843468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).