3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine

C11H20N2O — CID 116870782

IUPAC3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
SMILESCN1CCC(C2(C3CNC3)COC2)C1
InChIInChI=1S/C11H20N2O/c1-13-3-2-9(6-13)11(7-14-8-11)10-4-12-5-10/h9-10,12H,2-8H2,1H3
InChIKeyZSQZOUJHIPOJPE-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.17
Rot. Bonds2

About 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine

3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine (PubChem CID 116870782) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
PubChem CID116870782
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
SMILESCN1CCC(C2(C3CNC3)COC2)C1
InChIInChI=1S/C11H20N2O/c1-13-3-2-9(6-13)11(7-14-8-11)10-4-12-5-10/h9-10,12H,2-8H2,1H3
InChIKeyZSQZOUJHIPOJPE-UHFFFAOYSA-N
XLogP0.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine?
The IUPAC name of 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine (CID 116870782) is 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine?
The canonical SMILES for 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine is CN1CCC(C2(C3CNC3)COC2)C1.
What is the InChIKey of 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine?
The InChIKey is ZSQZOUJHIPOJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13-3-2-9(6-13)11(7-14-8-11)10-4-12-5-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine?
3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine has a molecular weight of 196.29 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine is sourced from PubChem (CID 116870782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).