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

C10H17NO2 — CID 156546191

IUPAC6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESCOC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C10H17NO2/c1-12-10-7-2-8(10)4-11(3-7)9-5-13-6-9/h7-10H,2-6H2,1H3
InChIKeyPCUTXFFWJPGTBN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.35
Rot. Bonds2

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

6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (PubChem CID 156546191) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
PubChem CID156546191
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
SMILESCOC1C2CC1CN(C1COC1)C2
InChIInChI=1S/C10H17NO2/c1-12-10-7-2-8(10)4-11(3-7)9-5-13-6-9/h7-10H,2-6H2,1H3
InChIKeyPCUTXFFWJPGTBN-UHFFFAOYSA-N
XLogP0.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane (CID 156546191) is 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is COC1C2CC1CN(C1COC1)C2.
What is the InChIKey of 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
The InChIKey is PCUTXFFWJPGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-12-10-7-2-8(10)4-11(3-7)9-5-13-6-9/h7-10H,2-6H2,1H3.
What are the key properties of 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane?
6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane has a molecular weight of 183.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 156546191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).