cyclopentanecarbonyl iodide

C6H9IO — CID 86141962

IUPACcyclopentanecarbonyl iodide
SMILESO=C(I)C1CCCC1
InChIInChI=1S/C6H9IO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
InChIKeyLYMLENOAUYXWPX-UHFFFAOYSA-N
MW224.04 g/mol
LogP2.14
Rot. Bonds1

About cyclopentanecarbonyl iodide

cyclopentanecarbonyl iodide (PubChem CID 86141962) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is cyclopentanecarbonyl iodide.

Molecular Properties

Compound Namecyclopentanecarbonyl iodide
PubChem CID86141962
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Namecyclopentanecarbonyl iodide
SMILESO=C(I)C1CCCC1
InChIInChI=1S/C6H9IO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
InChIKeyLYMLENOAUYXWPX-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentanecarbonyl iodide?
The IUPAC name of cyclopentanecarbonyl iodide (CID 86141962) is cyclopentanecarbonyl iodide.
What is the SMILES notation for cyclopentanecarbonyl iodide?
The canonical SMILES for cyclopentanecarbonyl iodide is O=C(I)C1CCCC1.
What is the InChIKey of cyclopentanecarbonyl iodide?
The InChIKey is LYMLENOAUYXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of cyclopentanecarbonyl iodide?
cyclopentanecarbonyl iodide has a molecular weight of 224.04 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarbonyl iodide is sourced from PubChem (CID 86141962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).