4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one

C8H9NO2 — CID 129180584

IUPAC4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1/C=C\C
InChIInChI=1S/C8H9NO2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-5H,2H2,1H3,(H,9,10)/b5-3-
InChIKeyUMCQXVMVRWPXPV-HYXAFXHYSA-N
MW151.16 g/mol
LogP1.64
Rot. Bonds2

About 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one

4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one (PubChem CID 129180584) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
PubChem CID129180584
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1/C=C\C
InChIInChI=1S/C8H9NO2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-5H,2H2,1H3,(H,9,10)/b5-3-
InChIKeyUMCQXVMVRWPXPV-HYXAFXHYSA-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-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one (CID 129180584) is 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one is C=Cc1[nH]c(=O)oc1/C=C\C.
What is the InChIKey of 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
The InChIKey is UMCQXVMVRWPXPV-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-5H,2H2,1H3,(H,9,10)/b5-3-.
What are the key properties of 4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one?
4-ethenyl-5-[(Z)-prop-1-enyl]-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-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 129180584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).