5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one

C6H8INO2 — CID 11097087

IUPAC5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one
SMILESC=C(I)C1CN(C)C(=O)O1
InChIInChI=1S/C6H8INO2/c1-4(7)5-3-8(2)6(9)10-5/h5H,1,3H2,2H3
InChIKeyDJYAMMRXLMVLOK-UHFFFAOYSA-N
MW253.04 g/mol
LogP1.39
Rot. Bonds1

About 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one

5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 11097087) has the molecular formula C6H8INO2 and a molecular weight of 253.04 g/mol. Its IUPAC name is 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID11097087
Molecular FormulaC6H8INO2
Molecular Weight253.04 g/mol
Exact Mass252.96
IUPAC Name5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one
SMILESC=C(I)C1CN(C)C(=O)O1
InChIInChI=1S/C6H8INO2/c1-4(7)5-3-8(2)6(9)10-5/h5H,1,3H2,2H3
InChIKeyDJYAMMRXLMVLOK-UHFFFAOYSA-N
XLogP1.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one (CID 11097087) is 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one is C=C(I)C1CN(C)C(=O)O1.
What is the InChIKey of 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is DJYAMMRXLMVLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO2/c1-4(7)5-3-8(2)6(9)10-5/h5H,1,3H2,2H3.
What are the key properties of 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one?
5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 253.04 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-iodoethenyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11097087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).