1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione

C11H10BrNO2 — CID 61036556

IUPAC1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C11H10BrNO2/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(12)6-9/h2-4,6-7H,5H2,1H3
InChIKeyJJCOZNUBKHXYNK-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.35
Rot. Bonds1

About 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione

1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61036556) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID61036556
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C11H10BrNO2/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(12)6-9/h2-4,6-7H,5H2,1H3
InChIKeyJJCOZNUBKHXYNK-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.35
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-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione (CID 61036556) is 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(c2cccc(Br)c2)C1=O.
What is the InChIKey of 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is JJCOZNUBKHXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(12)6-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione?
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 268.11 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61036556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).