(Z)-2-methylbut-2-enedioyl diiodide

C5H4I2O2 — CID 18942590

IUPAC(Z)-2-methylbut-2-enedioyl diiodide
SMILESC/C(=C/C(=O)I)C(=O)I
InChIInChI=1S/C5H4I2O2/c1-3(5(7)9)2-4(6)8/h2H,1H3/b3-2-
InChIKeyPSWSHPDJFCRXII-IHWYPQMZSA-N
MW349.89 g/mol
LogP1.86
Rot. Bonds2

About (Z)-2-methylbut-2-enedioyl diiodide

(Z)-2-methylbut-2-enedioyl diiodide (PubChem CID 18942590) has the molecular formula C5H4I2O2 and a molecular weight of 349.89 g/mol. Its IUPAC name is (Z)-2-methylbut-2-enedioyl diiodide.

Molecular Properties

Compound Name(Z)-2-methylbut-2-enedioyl diiodide
PubChem CID18942590
Molecular FormulaC5H4I2O2
Molecular Weight349.89 g/mol
Exact Mass349.83
IUPAC Name(Z)-2-methylbut-2-enedioyl diiodide
SMILESC/C(=C/C(=O)I)C(=O)I
InChIInChI=1S/C5H4I2O2/c1-3(5(7)9)2-4(6)8/h2H,1H3/b3-2-
InChIKeyPSWSHPDJFCRXII-IHWYPQMZSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

3-methylbut-2-enoyl iodide
CID 12715993
3-iodo-N-methylbut-2-enamide
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pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
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[(Z)-4-oxopent-2-en-2-yl] hypoiodite
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CID 10892468
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3-acetylhex-3-ene-2,5-dione
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4-hydroxypent-3-en-2-one;titanium
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hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
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tris(4-hydroxypent-3-en-2-one);thulium
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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylbut-2-enedioyl diiodide?
The IUPAC name of (Z)-2-methylbut-2-enedioyl diiodide (CID 18942590) is (Z)-2-methylbut-2-enedioyl diiodide.
What is the SMILES notation for (Z)-2-methylbut-2-enedioyl diiodide?
The canonical SMILES for (Z)-2-methylbut-2-enedioyl diiodide is C/C(=C/C(=O)I)C(=O)I.
What is the InChIKey of (Z)-2-methylbut-2-enedioyl diiodide?
The InChIKey is PSWSHPDJFCRXII-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H4I2O2/c1-3(5(7)9)2-4(6)8/h2H,1H3/b3-2-.
What are the key properties of (Z)-2-methylbut-2-enedioyl diiodide?
(Z)-2-methylbut-2-enedioyl diiodide has a molecular weight of 349.89 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylbut-2-enedioyl diiodide is sourced from PubChem (CID 18942590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).