6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane

C12H19NO2 — CID 167292025

IUPAC6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESC1CC1OC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C12H19NO2/c1-2-11(1)15-12-8-3-9(12)5-13(4-8)10-6-14-7-10/h8-12H,1-7H2
InChIKeyGPDJLMGIVULHLZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds3

About 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane

6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (PubChem CID 167292025) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
PubChem CID167292025
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESC1CC1OC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C12H19NO2/c1-2-11(1)15-12-8-3-9(12)5-13(4-8)10-6-14-7-10/h8-12H,1-7H2
InChIKeyGPDJLMGIVULHLZ-UHFFFAOYSA-N
XLogP0.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (CID 167292025) is 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is C1CC1OC1C2CC1CN(C1COC1)C2.
What is the InChIKey of 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The InChIKey is GPDJLMGIVULHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-11(1)15-12-8-3-9(12)5-13(4-8)10-6-14-7-10/h8-12H,1-7H2.
What are the key properties of 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane has a molecular weight of 209.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 167292025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).