2-iodocyclopent-2-en-1-one

C5H5IO — CID 10867499

IUPAC2-iodocyclopent-2-en-1-one
SMILESO=C1CCC=C1I
InChIInChI=1S/C5H5IO/c6-4-2-1-3-5(4)7/h2H,1,3H2
InChIKeyIMUSDFZITNOTLJ-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.67
Rot. Bonds

About 2-iodocyclopent-2-en-1-one

2-iodocyclopent-2-en-1-one (PubChem CID 10867499) has the molecular formula C5H5IO and a molecular weight of 208.00 g/mol. Its IUPAC name is 2-iodocyclopent-2-en-1-one.

Molecular Properties

Compound Name2-iodocyclopent-2-en-1-one
PubChem CID10867499
Molecular FormulaC5H5IO
Molecular Weight208.00 g/mol
Exact Mass207.94
IUPAC Name2-iodocyclopent-2-en-1-one
SMILESO=C1CCC=C1I
InChIInChI=1S/C5H5IO/c6-4-2-1-3-5(4)7/h2H,1,3H2
InChIKeyIMUSDFZITNOTLJ-UHFFFAOYSA-N
XLogP1.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.67
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 2-iodocyclopent-2-en-1-one?
The IUPAC name of 2-iodocyclopent-2-en-1-one (CID 10867499) is 2-iodocyclopent-2-en-1-one.
What is the SMILES notation for 2-iodocyclopent-2-en-1-one?
The canonical SMILES for 2-iodocyclopent-2-en-1-one is O=C1CCC=C1I.
What is the InChIKey of 2-iodocyclopent-2-en-1-one?
The InChIKey is IMUSDFZITNOTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IO/c6-4-2-1-3-5(4)7/h2H,1,3H2.
What are the key properties of 2-iodocyclopent-2-en-1-one?
2-iodocyclopent-2-en-1-one has a molecular weight of 208.00 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodocyclopent-2-en-1-one is sourced from PubChem (CID 10867499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).