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

C10H15NO2 — CID 143201376

IUPAC4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane
SMILESC=Cc1oc(=O)n(C)c1C=C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-4-6-7(5-2)11-8(10)9(6)3;1-2/h4-5H,1-2H2,3H3;1-2H3
InChIKeyRYTYHXXEMHSMJZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.29
Rot. Bonds2

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

4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane (PubChem CID 143201376) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane
PubChem CID143201376
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane
SMILESC=Cc1oc(=O)n(C)c1C=C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-4-6-7(5-2)11-8(10)9(6)3;1-2/h4-5H,1-2H2,3H3;1-2H3
InChIKeyRYTYHXXEMHSMJZ-UHFFFAOYSA-N
XLogP2.29
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.29
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
CID 143201377
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;ethane?
The IUPAC name of 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane (CID 143201376) is 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane is C=Cc1oc(=O)n(C)c1C=C.CC.
What is the InChIKey of 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane?
The InChIKey is RYTYHXXEMHSMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-4-6-7(5-2)11-8(10)9(6)3;1-2/h4-5H,1-2H2,3H3;1-2H3.
What are the key properties of 4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane?
4,5-bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane has a molecular weight of 181.23 g/mol, XLogP of 2.29, 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;ethane is sourced from PubChem (CID 143201376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).