5-bromo-2-propan-2-ylisoindole-1,3-dione

C11H10BrNO2 — CID 4102537

IUPAC5-bromo-2-propan-2-ylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C11H10BrNO2/c1-6(2)13-10(14)8-4-3-7(12)5-9(8)11(13)15/h3-6H,1-2H3
InChIKeyIGYVZRGNKAVKMP-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-2-propan-2-ylisoindole-1,3-dione

5-bromo-2-propan-2-ylisoindole-1,3-dione (PubChem CID 4102537) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-propan-2-ylisoindole-1,3-dione
PubChem CID4102537
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name5-bromo-2-propan-2-ylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C11H10BrNO2/c1-6(2)13-10(14)8-4-3-7(12)5-9(8)11(13)15/h3-6H,1-2H3
InChIKeyIGYVZRGNKAVKMP-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-propan-2-ylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 5-bromo-2-propan-2-ylisoindole-1,3-dione (CID 4102537) is 5-bromo-2-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-propan-2-ylisoindole-1,3-dione is CC(C)N1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-2-propan-2-ylisoindole-1,3-dione?
The InChIKey is IGYVZRGNKAVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6(2)13-10(14)8-4-3-7(12)5-9(8)11(13)15/h3-6H,1-2H3.
What are the key properties of 5-bromo-2-propan-2-ylisoindole-1,3-dione?
5-bromo-2-propan-2-ylisoindole-1,3-dione has a molecular weight of 268.11 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 4102537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).