3-ethyl-2H-oxazine

C6H9NO — CID 70017215

IUPAC3-ethyl-2H-oxazine
SMILESCCC1=CC=CON1
InChIInChI=1S/C6H9NO/c1-2-6-4-3-5-8-7-6/h3-5,7H,2H2,1H3
InChIKeyVFXDCMFPXMFLNU-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.33
Rot. Bonds1

About 3-ethyl-2H-oxazine

3-ethyl-2H-oxazine (PubChem CID 70017215) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-ethyl-2H-oxazine.

Molecular Properties

Compound Name3-ethyl-2H-oxazine
PubChem CID70017215
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-ethyl-2H-oxazine
SMILESCCC1=CC=CON1
InChIInChI=1S/C6H9NO/c1-2-6-4-3-5-8-7-6/h3-5,7H,2H2,1H3
InChIKeyVFXDCMFPXMFLNU-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-oxazine?
The IUPAC name of 3-ethyl-2H-oxazine (CID 70017215) is 3-ethyl-2H-oxazine.
What is the SMILES notation for 3-ethyl-2H-oxazine?
The canonical SMILES for 3-ethyl-2H-oxazine is CCC1=CC=CON1.
What is the InChIKey of 3-ethyl-2H-oxazine?
The InChIKey is VFXDCMFPXMFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-6-4-3-5-8-7-6/h3-5,7H,2H2,1H3.
What are the key properties of 3-ethyl-2H-oxazine?
3-ethyl-2H-oxazine has a molecular weight of 111.14 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-oxazine is sourced from PubChem (CID 70017215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).