(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane

C6H11NO2 — CID 55300793

IUPAC(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane
SMILESCOC1C[C@H]2N[C@H]2CO1
InChIInChI=1S/C6H11NO2/c1-8-6-2-4-5(7-4)3-9-6/h4-7H,2-3H2,1H3/t4-,5+,6?/m1/s1
InChIKeyAOSYIHURZHMVHS-XSYQQOMZSA-N
MW129.16 g/mol
LogP-0.28
Rot. Bonds1

About (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane

(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane (PubChem CID 55300793) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane
PubChem CID55300793
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane
SMILESCOC1C[C@H]2N[C@H]2CO1
InChIInChI=1S/C6H11NO2/c1-8-6-2-4-5(7-4)3-9-6/h4-7H,2-3H2,1H3/t4-,5+,6?/m1/s1
InChIKeyAOSYIHURZHMVHS-XSYQQOMZSA-N
XLogP-0.28
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane (CID 55300793) is (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane is COC1C[C@H]2N[C@H]2CO1.
What is the InChIKey of (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane?
The InChIKey is AOSYIHURZHMVHS-XSYQQOMZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-8-6-2-4-5(7-4)3-9-6/h4-7H,2-3H2,1H3/t4-,5+,6?/m1/s1.
What are the key properties of (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane?
(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane has a molecular weight of 129.16 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 55300793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).