2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide

C8H14INO2 — CID 163466682

IUPAC2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide
SMILESCN1C(CC(=O)I)COC1(C)C
InChIInChI=1S/C8H14INO2/c1-8(2)10(3)6(5-12-8)4-7(9)11/h6H,4-5H2,1-3H3
InChIKeyBTEVDHSHLGILDR-UHFFFAOYSA-N
MW283.11 g/mol
LogP1.40
Rot. Bonds2

About 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide

2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide (PubChem CID 163466682) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide
PubChem CID163466682
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide
SMILESCN1C(CC(=O)I)COC1(C)C
InChIInChI=1S/C8H14INO2/c1-8(2)10(3)6(5-12-8)4-7(9)11/h6H,4-5H2,1-3H3
InChIKeyBTEVDHSHLGILDR-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 51.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide?
The IUPAC name of 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide (CID 163466682) is 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide.
What is the SMILES notation for 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide?
The canonical SMILES for 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide is CN1C(CC(=O)I)COC1(C)C.
What is the InChIKey of 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide?
The InChIKey is BTEVDHSHLGILDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c1-8(2)10(3)6(5-12-8)4-7(9)11/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide?
2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide has a molecular weight of 283.11 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetyl iodide is sourced from PubChem (CID 163466682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).