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

C9H15NO — CID 154022577

IUPAC6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC1C2CN(C3COC3)CC12
InChIInChI=1S/C9H15NO/c1-6-8-2-10(3-9(6)8)7-4-11-5-7/h6-9H,2-5H2,1H3
InChIKeyFJRKDIFDTKOMQW-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.58
Rot. Bonds1

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

6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 154022577) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID154022577
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC1C2CN(C3COC3)CC12
InChIInChI=1S/C9H15NO/c1-6-8-2-10(3-9(6)8)7-4-11-5-7/h6-9H,2-5H2,1H3
InChIKeyFJRKDIFDTKOMQW-UHFFFAOYSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane (CID 154022577) is 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is CC1C2CN(C3COC3)CC12.
What is the InChIKey of 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is FJRKDIFDTKOMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-8-2-10(3-9(6)8)7-4-11-5-7/h6-9H,2-5H2,1H3.
What are the key properties of 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane?
6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 153.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 154022577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).