4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one

C8H9NO2 — CID 142266560

IUPAC4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1C(=C)C
InChIInChI=1S/C8H9NO2/c1-4-6-7(5(2)3)11-8(10)9-6/h4H,1-2H2,3H3,(H,9,10)
InChIKeyICUSWFBTDRGSGI-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.64
Rot. Bonds2

About 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one

4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one (PubChem CID 142266560) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one
PubChem CID142266560
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1C(=C)C
InChIInChI=1S/C8H9NO2/c1-4-6-7(5(2)3)11-8(10)9-6/h4H,1-2H2,3H3,(H,9,10)
InChIKeyICUSWFBTDRGSGI-UHFFFAOYSA-N
XLogP1.64
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one (CID 142266560) is 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one is C=Cc1[nH]c(=O)oc1C(=C)C.
What is the InChIKey of 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
The InChIKey is ICUSWFBTDRGSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-4-6-7(5(2)3)11-8(10)9-6/h4H,1-2H2,3H3,(H,9,10).
What are the key properties of 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one has a molecular weight of 151.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 142266560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).