1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione

C11H8BrNO2 — CID 880055

IUPAC1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C=CC2=O)c(Br)c1
InChIInChI=1S/C11H8BrNO2/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKeyDHXYZCLBPGJGGL-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.19
Rot. Bonds1

About 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione

1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione (PubChem CID 880055) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione
PubChem CID880055
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C=CC2=O)c(Br)c1
InChIInChI=1S/C11H8BrNO2/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKeyDHXYZCLBPGJGGL-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.19
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

CID 15399
CID 15399
CID 69200
CID 69200
CID 522624
CID 522624
CID 709265
CID 709265
CID 774831
CID 774831
CID 2707548
CID 2707548
CID 2732146
CID 2732146
CID 764334
CID 764334
CID 896020
CID 896020
CID 706569
CID 706569
CID 604282
CID 604282
CID 4410416
CID 4410416

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione (CID 880055) is 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C=CC2=O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is DHXYZCLBPGJGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11(13)15/h2-6H,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione?
1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 266.09 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 880055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).