3-methoxy-1,3-oxazinane

C5H11NO2 — CID 146666931

IUPAC3-methoxy-1,3-oxazinane
SMILESCON1CCCOC1
InChIInChI=1S/C5H11NO2/c1-7-6-3-2-4-8-5-6/h2-5H2,1H3
InChIKeyPTHSPCASIQRDFQ-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.23
Rot. Bonds1

About 3-methoxy-1,3-oxazinane

3-methoxy-1,3-oxazinane (PubChem CID 146666931) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-methoxy-1,3-oxazinane.

Molecular Properties

Compound Name3-methoxy-1,3-oxazinane
PubChem CID146666931
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-methoxy-1,3-oxazinane
SMILESCON1CCCOC1
InChIInChI=1S/C5H11NO2/c1-7-6-3-2-4-8-5-6/h2-5H2,1H3
InChIKeyPTHSPCASIQRDFQ-UHFFFAOYSA-N
XLogP0.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,3-oxazinane?
The IUPAC name of 3-methoxy-1,3-oxazinane (CID 146666931) is 3-methoxy-1,3-oxazinane.
What is the SMILES notation for 3-methoxy-1,3-oxazinane?
The canonical SMILES for 3-methoxy-1,3-oxazinane is CON1CCCOC1.
What is the InChIKey of 3-methoxy-1,3-oxazinane?
The InChIKey is PTHSPCASIQRDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-7-6-3-2-4-8-5-6/h2-5H2,1H3.
What are the key properties of 3-methoxy-1,3-oxazinane?
3-methoxy-1,3-oxazinane has a molecular weight of 117.15 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,3-oxazinane is sourced from PubChem (CID 146666931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).