4-ethenylidene-1,3-oxazolidin-2-one

C5H5NO2 — CID 101235753

IUPAC4-ethenylidene-1,3-oxazolidin-2-one
SMILESC=C=C1COC(=O)N1
InChIInChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,3H2,(H,6,7)
InChIKeyRKSOGDAKTBSNEO-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.40
Rot. Bonds

About 4-ethenylidene-1,3-oxazolidin-2-one

4-ethenylidene-1,3-oxazolidin-2-one (PubChem CID 101235753) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 4-ethenylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethenylidene-1,3-oxazolidin-2-one
PubChem CID101235753
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name4-ethenylidene-1,3-oxazolidin-2-one
SMILESC=C=C1COC(=O)N1
InChIInChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,3H2,(H,6,7)
InChIKeyRKSOGDAKTBSNEO-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethenylidene-1,3-oxazolidin-2-one (CID 101235753) is 4-ethenylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethenylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethenylidene-1,3-oxazolidin-2-one is C=C=C1COC(=O)N1.
What is the InChIKey of 4-ethenylidene-1,3-oxazolidin-2-one?
The InChIKey is RKSOGDAKTBSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-2-4-3-8-5(7)6-4/h1,3H2,(H,6,7).
What are the key properties of 4-ethenylidene-1,3-oxazolidin-2-one?
4-ethenylidene-1,3-oxazolidin-2-one has a molecular weight of 111.10 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 101235753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).