3-methyl-2,6-dihydro-1,3-oxazine

C5H9NO — CID 70611351

IUPAC3-methyl-2,6-dihydro-1,3-oxazine
SMILESCN1C=CCOC1
InChIInChI=1S/C5H9NO/c1-6-3-2-4-7-5-6/h2-3H,4-5H2,1H3
InChIKeyVVDMFUQFOLBENT-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.42
Rot. Bonds

About 3-methyl-2,6-dihydro-1,3-oxazine

3-methyl-2,6-dihydro-1,3-oxazine (PubChem CID 70611351) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-methyl-2,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name3-methyl-2,6-dihydro-1,3-oxazine
PubChem CID70611351
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-methyl-2,6-dihydro-1,3-oxazine
SMILESCN1C=CCOC1
InChIInChI=1S/C5H9NO/c1-6-3-2-4-7-5-6/h2-3H,4-5H2,1H3
InChIKeyVVDMFUQFOLBENT-UHFFFAOYSA-N
XLogP0.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-dihydro-1,3-oxazine?
The IUPAC name of 3-methyl-2,6-dihydro-1,3-oxazine (CID 70611351) is 3-methyl-2,6-dihydro-1,3-oxazine.
What is the SMILES notation for 3-methyl-2,6-dihydro-1,3-oxazine?
The canonical SMILES for 3-methyl-2,6-dihydro-1,3-oxazine is CN1C=CCOC1.
What is the InChIKey of 3-methyl-2,6-dihydro-1,3-oxazine?
The InChIKey is VVDMFUQFOLBENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-6-3-2-4-7-5-6/h2-3H,4-5H2,1H3.
What are the key properties of 3-methyl-2,6-dihydro-1,3-oxazine?
3-methyl-2,6-dihydro-1,3-oxazine has a molecular weight of 99.13 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-dihydro-1,3-oxazine is sourced from PubChem (CID 70611351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).