3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine

C11H21NO2 — CID 149071581

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
SMILESCC(C)(C)OC1CCN(C2COC2)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10-4-5-12(6-10)9-7-13-8-9/h9-10H,4-8H2,1-3H3
InChIKeyQNZNJSMAGOQNEX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.27
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine

3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine (PubChem CID 149071581) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
PubChem CID149071581
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
SMILESCC(C)(C)OC1CCN(C2COC2)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10-4-5-12(6-10)9-7-13-8-9/h9-10H,4-8H2,1-3H3
InChIKeyQNZNJSMAGOQNEX-UHFFFAOYSA-N
XLogP1.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine (CID 149071581) is 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine is CC(C)(C)OC1CCN(C2COC2)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is QNZNJSMAGOQNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-10-4-5-12(6-10)9-7-13-8-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine?
3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 199.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 149071581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).