methyl prop-2-enoate;zinc;hydroiodide

C4H7IO2Zn — CID 174920800

IUPACmethyl prop-2-enoate;zinc;hydroiodide
SMILESC=CC(=O)OC.I.[Zn]
InChIInChI=1S/C4H6O2.HI.Zn/c1-3-4(5)6-2;;/h3H,1H2,2H3;1H;
InChIKeyMWNWSIDDXHYIJX-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.96
Rot. Bonds1

About methyl prop-2-enoate;zinc;hydroiodide

methyl prop-2-enoate;zinc;hydroiodide (PubChem CID 174920800) has the molecular formula C4H7IO2Zn and a molecular weight of 279.39 g/mol. Its IUPAC name is methyl prop-2-enoate;zinc;hydroiodide.

Molecular Properties

Compound Namemethyl prop-2-enoate;zinc;hydroiodide
PubChem CID174920800
Molecular FormulaC4H7IO2Zn
Molecular Weight279.39 g/mol
Exact Mass277.88
IUPAC Namemethyl prop-2-enoate;zinc;hydroiodide
SMILESC=CC(=O)OC.I.[Zn]
InChIInChI=1S/C4H6O2.HI.Zn/c1-3-4(5)6-2;;/h3H,1H2,2H3;1H;
InChIKeyMWNWSIDDXHYIJX-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;zinc;hydroiodide?
The IUPAC name of methyl prop-2-enoate;zinc;hydroiodide (CID 174920800) is methyl prop-2-enoate;zinc;hydroiodide.
What is the SMILES notation for methyl prop-2-enoate;zinc;hydroiodide?
The canonical SMILES for methyl prop-2-enoate;zinc;hydroiodide is C=CC(=O)OC.I.[Zn].
What is the InChIKey of methyl prop-2-enoate;zinc;hydroiodide?
The InChIKey is MWNWSIDDXHYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.HI.Zn/c1-3-4(5)6-2;;/h3H,1H2,2H3;1H;.
What are the key properties of methyl prop-2-enoate;zinc;hydroiodide?
methyl prop-2-enoate;zinc;hydroiodide has a molecular weight of 279.39 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;zinc;hydroiodide is sourced from PubChem (CID 174920800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).