2-[(E)-2-bromoethenyl]isoindole-1,3-dione

C10H6BrNO2 — CID 139241091

IUPAC2-[(E)-2-bromoethenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/C=C/Br
InChIInChI=1S/C10H6BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-6H/b6-5+
InChIKeyGGZOAHPYXMQUQW-AATRIKPKSA-N
MW252.07 g/mol
LogP2.15
Rot. Bonds1

About 2-[(E)-2-bromoethenyl]isoindole-1,3-dione

2-[(E)-2-bromoethenyl]isoindole-1,3-dione (PubChem CID 139241091) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 2-[(E)-2-bromoethenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-2-bromoethenyl]isoindole-1,3-dione
PubChem CID139241091
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name2-[(E)-2-bromoethenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/C=C/Br
InChIInChI=1S/C10H6BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-6H/b6-5+
InChIKeyGGZOAHPYXMQUQW-AATRIKPKSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.15
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 2-[(E)-2-bromoethenyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-2-bromoethenyl]isoindole-1,3-dione (CID 139241091) is 2-[(E)-2-bromoethenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-2-bromoethenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-2-bromoethenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/C=C/Br.
What is the InChIKey of 2-[(E)-2-bromoethenyl]isoindole-1,3-dione?
The InChIKey is GGZOAHPYXMQUQW-AATRIKPKSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-6H/b6-5+.
What are the key properties of 2-[(E)-2-bromoethenyl]isoindole-1,3-dione?
2-[(E)-2-bromoethenyl]isoindole-1,3-dione has a molecular weight of 252.07 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromoethenyl]isoindole-1,3-dione is sourced from PubChem (CID 139241091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).