4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine

C11H22N2O — CID 166869653

IUPAC4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine
SMILESCOC1CN(C2CN(C)C(C)(C)C2)C1
InChIInChI=1S/C11H22N2O/c1-11(2)5-9(6-12(11)3)13-7-10(8-13)14-4/h9-10H,5-8H2,1-4H3
InChIKeyBRMMWEPQVPKRDB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds2

About 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine

4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine (PubChem CID 166869653) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine.

Molecular Properties

Compound Name4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine
PubChem CID166869653
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine
SMILESCOC1CN(C2CN(C)C(C)(C)C2)C1
InChIInChI=1S/C11H22N2O/c1-11(2)5-9(6-12(11)3)13-7-10(8-13)14-4/h9-10H,5-8H2,1-4H3
InChIKeyBRMMWEPQVPKRDB-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine?
The IUPAC name of 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine (CID 166869653) is 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine.
What is the SMILES notation for 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine?
The canonical SMILES for 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine is COC1CN(C2CN(C)C(C)(C)C2)C1.
What is the InChIKey of 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine?
The InChIKey is BRMMWEPQVPKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)5-9(6-12(11)3)13-7-10(8-13)14-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine?
4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyazetidin-1-yl)-1,2,2-trimethylpyrrolidine is sourced from PubChem (CID 166869653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).