3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane

C11H19NO — CID 146488526

IUPAC3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C2CN(C3COC3)CC21
InChIInChI=1S/C11H19NO/c1-7(2)11-9-3-12(4-10(9)11)8-5-13-6-8/h7-11H,3-6H2,1-2H3
InChIKeyLRODJNBRLGKJIZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.22
Rot. Bonds2

About 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane

3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 146488526) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID146488526
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C2CN(C3COC3)CC21
InChIInChI=1S/C11H19NO/c1-7(2)11-9-3-12(4-10(9)11)8-5-13-6-8/h7-11H,3-6H2,1-2H3
InChIKeyLRODJNBRLGKJIZ-UHFFFAOYSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 146488526) is 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)C1C2CN(C3COC3)CC21.
What is the InChIKey of 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is LRODJNBRLGKJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)11-9-3-12(4-10(9)11)8-5-13-6-8/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 181.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 146488526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).