5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane

C10H15NO2 — CID 143894905

IUPAC5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane
SMILESC=CC1=C(C=C)OC(=O)NC1.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-6-5-9-8(10)11-7(6)4-2;1-2/h3-4H,1-2,5H2,(H,9,10);1-2H3
InChIKeyLELVAJQHDVBLLM-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.38
Rot. Bonds2

About 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane

5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane (PubChem CID 143894905) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane
PubChem CID143894905
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane
SMILESC=CC1=C(C=C)OC(=O)NC1.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-6-5-9-8(10)11-7(6)4-2;1-2/h3-4H,1-2,5H2,(H,9,10);1-2H3
InChIKeyLELVAJQHDVBLLM-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane?
The IUPAC name of 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane (CID 143894905) is 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane is C=CC1=C(C=C)OC(=O)NC1.CC.
What is the InChIKey of 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane?
The InChIKey is LELVAJQHDVBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-3-6-5-9-8(10)11-7(6)4-2;1-2/h3-4H,1-2,5H2,(H,9,10);1-2H3.
What are the key properties of 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane?
5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane has a molecular weight of 181.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane is sourced from PubChem (CID 143894905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).