3-bromo-2-iodocyclopent-2-en-1-one

C5H4BrIO — CID 119096270

IUPAC3-bromo-2-iodocyclopent-2-en-1-one
SMILESO=C1CCC(Br)=C1I
InChIInChI=1S/C5H4BrIO/c6-3-1-2-4(8)5(3)7/h1-2H2
InChIKeyFHSDVOWMSIEYEY-UHFFFAOYSA-N
MW286.89 g/mol
LogP2.39
Rot. Bonds

About 3-bromo-2-iodocyclopent-2-en-1-one

3-bromo-2-iodocyclopent-2-en-1-one (PubChem CID 119096270) has the molecular formula C5H4BrIO and a molecular weight of 286.89 g/mol. Its IUPAC name is 3-bromo-2-iodocyclopent-2-en-1-one.

Molecular Properties

Compound Name3-bromo-2-iodocyclopent-2-en-1-one
PubChem CID119096270
Molecular FormulaC5H4BrIO
Molecular Weight286.89 g/mol
Exact Mass285.85
IUPAC Name3-bromo-2-iodocyclopent-2-en-1-one
SMILESO=C1CCC(Br)=C1I
InChIInChI=1S/C5H4BrIO/c6-3-1-2-4(8)5(3)7/h1-2H2
InChIKeyFHSDVOWMSIEYEY-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.89
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-iodocyclopent-2-en-1-one?
The IUPAC name of 3-bromo-2-iodocyclopent-2-en-1-one (CID 119096270) is 3-bromo-2-iodocyclopent-2-en-1-one.
What is the SMILES notation for 3-bromo-2-iodocyclopent-2-en-1-one?
The canonical SMILES for 3-bromo-2-iodocyclopent-2-en-1-one is O=C1CCC(Br)=C1I.
What is the InChIKey of 3-bromo-2-iodocyclopent-2-en-1-one?
The InChIKey is FHSDVOWMSIEYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrIO/c6-3-1-2-4(8)5(3)7/h1-2H2.
What are the key properties of 3-bromo-2-iodocyclopent-2-en-1-one?
3-bromo-2-iodocyclopent-2-en-1-one has a molecular weight of 286.89 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-iodocyclopent-2-en-1-one is sourced from PubChem (CID 119096270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).