2-methylprop-2-enoyl iodide

C4H5IO — CID 14746770

IUPAC2-methylprop-2-enoyl iodide
SMILESC=C(C)C(=O)I
InChIInChI=1S/C4H5IO/c1-3(2)4(5)6/h1H2,2H3
InChIKeyRWUMREWUNMCLCM-UHFFFAOYSA-N
MW195.99 g/mol
LogP1.52
Rot. Bonds1

About 2-methylprop-2-enoyl iodide

2-methylprop-2-enoyl iodide (PubChem CID 14746770) has the molecular formula C4H5IO and a molecular weight of 195.99 g/mol. Its IUPAC name is 2-methylprop-2-enoyl iodide.

Molecular Properties

Compound Name2-methylprop-2-enoyl iodide
PubChem CID14746770
Molecular FormulaC4H5IO
Molecular Weight195.99 g/mol
Exact Mass195.94
IUPAC Name2-methylprop-2-enoyl iodide
SMILESC=C(C)C(=O)I
InChIInChI=1S/C4H5IO/c1-3(2)4(5)6/h1H2,2H3
InChIKeyRWUMREWUNMCLCM-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl iodide?
The IUPAC name of 2-methylprop-2-enoyl iodide (CID 14746770) is 2-methylprop-2-enoyl iodide.
What is the SMILES notation for 2-methylprop-2-enoyl iodide?
The canonical SMILES for 2-methylprop-2-enoyl iodide is C=C(C)C(=O)I.
What is the InChIKey of 2-methylprop-2-enoyl iodide?
The InChIKey is RWUMREWUNMCLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IO/c1-3(2)4(5)6/h1H2,2H3.
What are the key properties of 2-methylprop-2-enoyl iodide?
2-methylprop-2-enoyl iodide has a molecular weight of 195.99 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl iodide is sourced from PubChem (CID 14746770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).