[(Z)-4-oxopent-2-en-2-yl] hypoiodite

C5H7IO2 — CID 89073208

IUPAC[(Z)-4-oxopent-2-en-2-yl] hypoiodite
SMILESCC(=O)/C=C(/C)OI
InChIInChI=1S/C5H7IO2/c1-4(7)3-5(2)8-6/h3H,1-2H3/b5-3-
InChIKeyZIPXMUVLXFWPPQ-HYXAFXHYSA-N
MW226.01 g/mol
LogP1.85
Rot. Bonds2

About [(Z)-4-oxopent-2-en-2-yl] hypoiodite

[(Z)-4-oxopent-2-en-2-yl] hypoiodite (PubChem CID 89073208) has the molecular formula C5H7IO2 and a molecular weight of 226.01 g/mol. Its IUPAC name is [(Z)-4-oxopent-2-en-2-yl] hypoiodite.

Molecular Properties

Compound Name[(Z)-4-oxopent-2-en-2-yl] hypoiodite
PubChem CID89073208
Molecular FormulaC5H7IO2
Molecular Weight226.01 g/mol
Exact Mass225.95
IUPAC Name[(Z)-4-oxopent-2-en-2-yl] hypoiodite
SMILESCC(=O)/C=C(/C)OI
InChIInChI=1S/C5H7IO2/c1-4(7)3-5(2)8-6/h3H,1-2H3/b5-3-
InChIKeyZIPXMUVLXFWPPQ-HYXAFXHYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
CID 16717626
CID 140513856
CID 140513856
(Z)-4-dichloroalumanyloxypent-3-en-2-one
CID 16685728
(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one
CID 16685730
methyl [(E)-4-oxopent-2-en-2-yl] carbonate
CID 10351945
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
4-oxopent-2-en-2-yl N,N-dimethylcarbamate
CID 57243563
4-prop-2-enoxypent-3-en-2-one
CID 71367685
(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one
CID 143934167
iodo acetate;hydrochloride
CID 22153279
(E)-5-methoxy-4,6-dimethylhept-3-en-2-one
CID 87291199
(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one
CID 134938517

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-oxopent-2-en-2-yl] hypoiodite?
The IUPAC name of [(Z)-4-oxopent-2-en-2-yl] hypoiodite (CID 89073208) is [(Z)-4-oxopent-2-en-2-yl] hypoiodite.
What is the SMILES notation for [(Z)-4-oxopent-2-en-2-yl] hypoiodite?
The canonical SMILES for [(Z)-4-oxopent-2-en-2-yl] hypoiodite is CC(=O)/C=C(/C)OI.
What is the InChIKey of [(Z)-4-oxopent-2-en-2-yl] hypoiodite?
The InChIKey is ZIPXMUVLXFWPPQ-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H7IO2/c1-4(7)3-5(2)8-6/h3H,1-2H3/b5-3-.
What are the key properties of [(Z)-4-oxopent-2-en-2-yl] hypoiodite?
[(Z)-4-oxopent-2-en-2-yl] hypoiodite has a molecular weight of 226.01 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-oxopent-2-en-2-yl] hypoiodite is sourced from PubChem (CID 89073208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).