1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione

C12H12BrNO2 — CID 55139506

IUPAC1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)CC(C)C2=O)ccc1Br
InChIInChI=1S/C12H12BrNO2/c1-7-5-9(3-4-10(7)13)14-11(15)6-8(2)12(14)16/h3-5,8H,6H2,1-2H3
InChIKeyPEWUPFAKMMTGFA-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.66
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione

1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 55139506) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID55139506
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)CC(C)C2=O)ccc1Br
InChIInChI=1S/C12H12BrNO2/c1-7-5-9(3-4-10(7)13)14-11(15)6-8(2)12(14)16/h3-5,8H,6H2,1-2H3
InChIKeyPEWUPFAKMMTGFA-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.66
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 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione (CID 55139506) is 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione is Cc1cc(N2C(=O)CC(C)C2=O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is PEWUPFAKMMTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7-5-9(3-4-10(7)13)14-11(15)6-8(2)12(14)16/h3-5,8H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione?
1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 282.14 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 55139506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).