2-(3-bromopropyl)isoindole-1,3-dione

C11H10BrNO2 — CID 21611

IUPAC2-(3-bromopropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCBr
InChIInChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKeyVKJCJJYNVIYVQR-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.07
Rot. Bonds3

About 2-(3-bromopropyl)isoindole-1,3-dione

2-(3-bromopropyl)isoindole-1,3-dione (PubChem CID 21611) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(3-bromopropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-bromopropyl)isoindole-1,3-dione
PubChem CID21611
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-(3-bromopropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCBr
InChIInChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKeyVKJCJJYNVIYVQR-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-bromopropyl)isoindole-1,3-dione (CID 21611) is 2-(3-bromopropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-bromopropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-bromopropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)isoindole-1,3-dione?
The InChIKey is VKJCJJYNVIYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2.
What are the key properties of 2-(3-bromopropyl)isoindole-1,3-dione?
2-(3-bromopropyl)isoindole-1,3-dione has a molecular weight of 268.11 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)isoindole-1,3-dione is sourced from PubChem (CID 21611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).