5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane

C13H21NO3 — CID 143838760

IUPAC5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane
SMILESC=Cc1oc(=O)n(C)c(=O)c1C=C.CC.CC
InChIInChI=1S/C9H9NO3.2C2H6/c1-4-6-7(5-2)13-9(12)10(3)8(6)11;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3
InChIKeyMOYPIVUAGNNHPC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.68
Rot. Bonds2

About 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane

5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane (PubChem CID 143838760) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane
PubChem CID143838760
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane
SMILESC=Cc1oc(=O)n(C)c(=O)c1C=C.CC.CC
InChIInChI=1S/C9H9NO3.2C2H6/c1-4-6-7(5-2)13-9(12)10(3)8(6)11;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3
InChIKeyMOYPIVUAGNNHPC-UHFFFAOYSA-N
XLogP2.68
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane?
The IUPAC name of 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane (CID 143838760) is 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane is C=Cc1oc(=O)n(C)c(=O)c1C=C.CC.CC.
What is the InChIKey of 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane?
The InChIKey is MOYPIVUAGNNHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.2C2H6/c1-4-6-7(5-2)13-9(12)10(3)8(6)11;2*1-2/h4-5H,1-2H2,3H3;2*1-2H3.
What are the key properties of 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane?
5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane has a molecular weight of 239.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3-methyl-1,3-oxazine-2,4-dione;ethane is sourced from PubChem (CID 143838760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).