4-ethyl-2,3-dihydro-1,4-oxazine

C6H11NO — CID 21270543

IUPAC4-ethyl-2,3-dihydro-1,4-oxazine
SMILESCCN1C=COCC1
InChIInChI=1S/C6H11NO/c1-2-7-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyQZSYZIDYWNAACS-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.81
Rot. Bonds1

About 4-ethyl-2,3-dihydro-1,4-oxazine

4-ethyl-2,3-dihydro-1,4-oxazine (PubChem CID 21270543) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1,4-oxazine
PubChem CID21270543
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-ethyl-2,3-dihydro-1,4-oxazine
SMILESCCN1C=COCC1
InChIInChI=1S/C6H11NO/c1-2-7-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyQZSYZIDYWNAACS-UHFFFAOYSA-N
XLogP0.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4-ethyl-2,3-dihydro-1,4-oxazine (CID 21270543) is 4-ethyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4-ethyl-2,3-dihydro-1,4-oxazine is CCN1C=COCC1.
What is the InChIKey of 4-ethyl-2,3-dihydro-1,4-oxazine?
The InChIKey is QZSYZIDYWNAACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-7-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydro-1,4-oxazine?
4-ethyl-2,3-dihydro-1,4-oxazine has a molecular weight of 113.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 21270543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).