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

C11H17NO — CID 163372244

IUPAC2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane
SMILESC=CC1=C(C=C)N(C)C=CO1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-4-8-9(5-2)11-7-6-10(8)3;1-2/h4-7H,1-2H2,3H3;1-2H3
InChIKeyJORDPIBFZKOQLF-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.03
Rot. Bonds2

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

2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane (PubChem CID 163372244) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane
PubChem CID163372244
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane
SMILESC=CC1=C(C=C)N(C)C=CO1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-4-8-9(5-2)11-7-6-10(8)3;1-2/h4-7H,1-2H2,3H3;1-2H3
InChIKeyJORDPIBFZKOQLF-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane (CID 163372244) is 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane is C=CC1=C(C=C)N(C)C=CO1.CC.
What is the InChIKey of 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane?
The InChIKey is JORDPIBFZKOQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-4-8-9(5-2)11-7-6-10(8)3;1-2/h4-7H,1-2H2,3H3;1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane?
2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane has a molecular weight of 179.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-methyl-1,4-oxazine;ethane is sourced from PubChem (CID 163372244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).