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

C6H7NO3 — CID 141006694

IUPAC5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione
SMILESC=CC1OC(=O)N(C)C1=O
InChIInChI=1S/C6H7NO3/c1-3-4-5(8)7(2)6(9)10-4/h3-4H,1H2,2H3
InChIKeyIDSFNISTALOBRU-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.15
Rot. Bonds1

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

5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 141006694) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione
PubChem CID141006694
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione
SMILESC=CC1OC(=O)N(C)C1=O
InChIInChI=1S/C6H7NO3/c1-3-4-5(8)7(2)6(9)10-4/h3-4H,1H2,2H3
InChIKeyIDSFNISTALOBRU-UHFFFAOYSA-N
XLogP0.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.15
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-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione (CID 141006694) is 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione is C=CC1OC(=O)N(C)C1=O.
What is the InChIKey of 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is IDSFNISTALOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-3-4-5(8)7(2)6(9)10-4/h3-4H,1H2,2H3.
What are the key properties of 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione?
5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 141006694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).