cyclopropanecarbonyl iodide

C4H5IO — CID 12715977

IUPACcyclopropanecarbonyl iodide
SMILESO=C(I)C1CC1
InChIInChI=1S/C4H5IO/c5-4(6)3-1-2-3/h3H,1-2H2
InChIKeyVLDNBNFNOHDMHH-UHFFFAOYSA-N
MW195.99 g/mol
LogP1.36
Rot. Bonds1

About cyclopropanecarbonyl iodide

cyclopropanecarbonyl iodide (PubChem CID 12715977) has the molecular formula C4H5IO and a molecular weight of 195.99 g/mol. Its IUPAC name is cyclopropanecarbonyl iodide.

Molecular Properties

Compound Namecyclopropanecarbonyl iodide
PubChem CID12715977
Molecular FormulaC4H5IO
Molecular Weight195.99 g/mol
Exact Mass195.94
IUPAC Namecyclopropanecarbonyl iodide
SMILESO=C(I)C1CC1
InChIInChI=1S/C4H5IO/c5-4(6)3-1-2-3/h3H,1-2H2
InChIKeyVLDNBNFNOHDMHH-UHFFFAOYSA-N
XLogP1.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 51.36
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 cyclopropanecarbonyl iodide?
The IUPAC name of cyclopropanecarbonyl iodide (CID 12715977) is cyclopropanecarbonyl iodide.
What is the SMILES notation for cyclopropanecarbonyl iodide?
The canonical SMILES for cyclopropanecarbonyl iodide is O=C(I)C1CC1.
What is the InChIKey of cyclopropanecarbonyl iodide?
The InChIKey is VLDNBNFNOHDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IO/c5-4(6)3-1-2-3/h3H,1-2H2.
What are the key properties of cyclopropanecarbonyl iodide?
cyclopropanecarbonyl iodide has a molecular weight of 195.99 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl iodide is sourced from PubChem (CID 12715977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).