5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine

C9H15NO — CID 139377305

IUPAC5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(CC)OC(C)CN1
InChIInChI=1S/C9H15NO/c1-4-8-9(5-2)11-7(3)6-10-8/h4,7,10H,1,5-6H2,2-3H3
InChIKeyZRHUMLQUHFXWKY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds2

About 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine

5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 139377305) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine
PubChem CID139377305
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(CC)OC(C)CN1
InChIInChI=1S/C9H15NO/c1-4-8-9(5-2)11-7(3)6-10-8/h4,7,10H,1,5-6H2,2-3H3
InChIKeyZRHUMLQUHFXWKY-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine (CID 139377305) is 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine is C=CC1=C(CC)OC(C)CN1.
What is the InChIKey of 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is ZRHUMLQUHFXWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8-9(5-2)11-7(3)6-10-8/h4,7,10H,1,5-6H2,2-3H3.
What are the key properties of 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine?
5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-ethyl-2-methyl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 139377305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).