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

C8H9NO2 — CID 143201377

IUPAC4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)n(C)c1C=C
InChIInChI=1S/C8H9NO2/c1-4-6-7(5-2)11-8(10)9(6)3/h4-5H,1-2H2,3H3
InChIKeyQIPUDHRGIIJFNP-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.26
Rot. Bonds2

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

4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one (PubChem CID 143201377) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one
PubChem CID143201377
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)n(C)c1C=C
InChIInChI=1S/C8H9NO2/c1-4-6-7(5-2)11-8(10)9(6)3/h4-5H,1-2H2,3H3
InChIKeyQIPUDHRGIIJFNP-UHFFFAOYSA-N
XLogP1.26
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 123382803
3,4-dimethyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
CID 132063615
tert-butyl N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylcarbamate
CID 134395746
4-ethenyl-5-[(Z)-prop-1-enyl]-2H-1,3-oxazole-3-carbaldehyde
CID 141808690
5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
CID 142026365
4,5-Bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane
CID 143201376
3-Methylcyclohepta[d][1,3]oxazol-2-one
CID 143468987
ethane;3-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 143798284
5-[(1Z)-3-chlorobuta-1,3-dienyl]-3,4-dimethyl-1,3-oxazol-2-one
CID 155359801
5-[(1E)-1-bromobuta-1,3-dienyl]-3,4-dimethyl-1,3-oxazol-2-one
CID 163823716
ethane;5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
CID 168165812
5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
CID 168165813

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one?
The IUPAC name of 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one (CID 143201377) is 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one.
What is the SMILES notation for 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one?
The canonical SMILES for 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one is C=Cc1oc(=O)n(C)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one?
The InChIKey is QIPUDHRGIIJFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-4-6-7(5-2)11-8(10)9(6)3/h4-5H,1-2H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one?
4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one has a molecular weight of 151.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 143201377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).