5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione

C7H9NO3 — CID 22954280

IUPAC5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESC=CC1(C)OC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H,1H2,2-3H3
InChIKeyJLSWSCMKNQMGLT-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.54
Rot. Bonds1

About 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione

5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 22954280) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID22954280
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESC=CC1(C)OC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H,1H2,2-3H3
InChIKeyJLSWSCMKNQMGLT-UHFFFAOYSA-N
XLogP0.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 22954280) is 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione is C=CC1(C)OC(=O)N(C)C1=O.
What is the InChIKey of 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is JLSWSCMKNQMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H,1H2,2-3H3.
What are the key properties of 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione?
5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 155.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 22954280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).