methyl (Z)-2-iodobut-2-enoate

C5H7IO2 — CID 11506856

IUPACmethyl (Z)-2-iodobut-2-enoate
SMILESC/C=C(\I)C(=O)OC
InChIInChI=1S/C5H7IO2/c1-3-4(6)5(7)8-2/h3H,1-2H3/b4-3-
InChIKeyIYGKNQKPYLYEQN-ARJAWSKDSA-N
MW226.01 g/mol
LogP1.50
Rot. Bonds1

About methyl (Z)-2-iodobut-2-enoate

methyl (Z)-2-iodobut-2-enoate (PubChem CID 11506856) has the molecular formula C5H7IO2 and a molecular weight of 226.01 g/mol. Its IUPAC name is methyl (Z)-2-iodobut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-iodobut-2-enoate
PubChem CID11506856
Molecular FormulaC5H7IO2
Molecular Weight226.01 g/mol
Exact Mass225.95
IUPAC Namemethyl (Z)-2-iodobut-2-enoate
SMILESC/C=C(\I)C(=O)OC
InChIInChI=1S/C5H7IO2/c1-3-4(6)5(7)8-2/h3H,1-2H3/b4-3-
InChIKeyIYGKNQKPYLYEQN-ARJAWSKDSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl oxalate
CID 11120
methyl carboniodidate
CID 87920262
dimethyl oxalate;hydrochloride
CID 172754902
CID 87704486
CID 87704486
methyl 2,3-diiodobut-2-enoate
CID 71366810
methyl (E)-2-aminobut-2-enoate
CID 19894054
methyl (Z)-2-bromobut-2-enoate
CID 6372571
methyl (Z)-4-cyclopentyl-2-iodobut-2-enoate
CID 87416854
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
methyl (E)-2-formylbut-2-enoate
CID 13359377
methyl (E)-3-bromo-2,3-diiodoprop-2-enoate
CID 88727299
2-iodobut-2-enamide
CID 174630742

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-iodobut-2-enoate?
The IUPAC name of methyl (Z)-2-iodobut-2-enoate (CID 11506856) is methyl (Z)-2-iodobut-2-enoate.
What is the SMILES notation for methyl (Z)-2-iodobut-2-enoate?
The canonical SMILES for methyl (Z)-2-iodobut-2-enoate is C/C=C(\I)C(=O)OC.
What is the InChIKey of methyl (Z)-2-iodobut-2-enoate?
The InChIKey is IYGKNQKPYLYEQN-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H7IO2/c1-3-4(6)5(7)8-2/h3H,1-2H3/b4-3-.
What are the key properties of methyl (Z)-2-iodobut-2-enoate?
methyl (Z)-2-iodobut-2-enoate has a molecular weight of 226.01 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-iodobut-2-enoate is sourced from PubChem (CID 11506856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).