3-methyl-1,3-oxazinane

C5H11NO — CID 641502

IUPAC3-methyl-1,3-oxazinane
SMILESCN1CCCOC1
InChIInChI=1S/C5H11NO/c1-6-3-2-4-7-5-6/h2-5H2,1H3
InChIKeyIJJGOAIJDMYZJR-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.30
Rot. Bonds

About 3-methyl-1,3-oxazinane

3-methyl-1,3-oxazinane (PubChem CID 641502) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methyl-1,3-oxazinane.

Molecular Properties

Compound Name3-methyl-1,3-oxazinane
PubChem CID641502
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methyl-1,3-oxazinane
SMILESCN1CCCOC1
InChIInChI=1S/C5H11NO/c1-6-3-2-4-7-5-6/h2-5H2,1H3
InChIKeyIJJGOAIJDMYZJR-UHFFFAOYSA-N
XLogP0.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazinane?
The IUPAC name of 3-methyl-1,3-oxazinane (CID 641502) is 3-methyl-1,3-oxazinane.
What is the SMILES notation for 3-methyl-1,3-oxazinane?
The canonical SMILES for 3-methyl-1,3-oxazinane is CN1CCCOC1.
What is the InChIKey of 3-methyl-1,3-oxazinane?
The InChIKey is IJJGOAIJDMYZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-6-3-2-4-7-5-6/h2-5H2,1H3.
What are the key properties of 3-methyl-1,3-oxazinane?
3-methyl-1,3-oxazinane has a molecular weight of 101.15 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazinane is sourced from PubChem (CID 641502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).