4,5-bis(ethenyl)-3H-1,3-oxazol-2-one

C7H7NO2 — CID 123737538

IUPAC4,5-bis(ethenyl)-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1C=C
InChIInChI=1S/C7H7NO2/c1-3-5-6(4-2)10-7(9)8-5/h3-4H,1-2H2,(H,8,9)
InChIKeyGFHTWNOSSYMKOT-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.25
Rot. Bonds2

About 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one

4,5-bis(ethenyl)-3H-1,3-oxazol-2-one (PubChem CID 123737538) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3H-1,3-oxazol-2-one
PubChem CID123737538
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name4,5-bis(ethenyl)-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1C=C
InChIInChI=1S/C7H7NO2/c1-3-5-6(4-2)10-7(9)8-5/h3-4H,1-2H2,(H,8,9)
InChIKeyGFHTWNOSSYMKOT-UHFFFAOYSA-N
XLogP1.25
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one (CID 123737538) is 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one is C=Cc1[nH]c(=O)oc1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one?
The InChIKey is GFHTWNOSSYMKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-3-5-6(4-2)10-7(9)8-5/h3-4H,1-2H2,(H,8,9).
What are the key properties of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one?
4,5-bis(ethenyl)-3H-1,3-oxazol-2-one has a molecular weight of 137.14 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 123737538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).