4-methyl-1,4-oxazine

C5H7NO — CID 15331497

IUPAC4-methyl-1,4-oxazine
SMILESCN1C=COC=C1
InChIInChI=1S/C5H7NO/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKeyLJJYGPQZRQHLGA-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.89
Rot. Bonds

About 4-methyl-1,4-oxazine

4-methyl-1,4-oxazine (PubChem CID 15331497) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4-methyl-1,4-oxazine.

Molecular Properties

Compound Name4-methyl-1,4-oxazine
PubChem CID15331497
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4-methyl-1,4-oxazine
SMILESCN1C=COC=C1
InChIInChI=1S/C5H7NO/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKeyLJJYGPQZRQHLGA-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-oxazine?
The IUPAC name of 4-methyl-1,4-oxazine (CID 15331497) is 4-methyl-1,4-oxazine.
What is the SMILES notation for 4-methyl-1,4-oxazine?
The canonical SMILES for 4-methyl-1,4-oxazine is CN1C=COC=C1.
What is the InChIKey of 4-methyl-1,4-oxazine?
The InChIKey is LJJYGPQZRQHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-6-2-4-7-5-3-6/h2-5H,1H3.
What are the key properties of 4-methyl-1,4-oxazine?
4-methyl-1,4-oxazine has a molecular weight of 97.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-oxazine is sourced from PubChem (CID 15331497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).