(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide

C7H8INO3 — CID 126732202

IUPAC(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide
SMILESO=C(I)/C=C/CN1COCC1=O
InChIInChI=1S/C7H8INO3/c8-6(10)2-1-3-9-5-12-4-7(9)11/h1-2H,3-5H2/b2-1+
InChIKeyIDSVRGONGSQZAV-OWOJBTEDSA-N
MW281.05 g/mol
LogP0.32
Rot. Bonds3

About (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide

(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide (PubChem CID 126732202) has the molecular formula C7H8INO3 and a molecular weight of 281.05 g/mol. Its IUPAC name is (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide.

Molecular Properties

Compound Name(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide
PubChem CID126732202
Molecular FormulaC7H8INO3
Molecular Weight281.05 g/mol
Exact Mass280.95
IUPAC Name(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide
SMILESO=C(I)/C=C/CN1COCC1=O
InChIInChI=1S/C7H8INO3/c8-6(10)2-1-3-9-5-12-4-7(9)11/h1-2H,3-5H2/b2-1+
InChIKeyIDSVRGONGSQZAV-OWOJBTEDSA-N
XLogP0.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Prop-2-enyl-1,3-oxazolidin-4-one
CID 69621688
(E)-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide
CID 126732201
3-Prop-2-enyl-1,3-oxazolidin-2-id-4-one
CID 154421048
(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enamide
CID 156393387

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide?
The IUPAC name of (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide (CID 126732202) is (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide.
What is the SMILES notation for (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide?
The canonical SMILES for (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide is O=C(I)/C=C/CN1COCC1=O.
What is the InChIKey of (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide?
The InChIKey is IDSVRGONGSQZAV-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H8INO3/c8-6(10)2-1-3-9-5-12-4-7(9)11/h1-2H,3-5H2/b2-1+.
What are the key properties of (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide?
(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide has a molecular weight of 281.05 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide is sourced from PubChem (CID 126732202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).