2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone

C11H20N2O2 — CID 119791808

IUPAC2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)COC2CNC2)CC1C
InChIInChI=1S/C11H20N2O2/c1-8-5-13(6-9(8)2)11(14)7-15-10-3-12-4-10/h8-10,12H,3-7H2,1-2H3
InChIKeyAGRCAAMKFAIKRC-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.09
Rot. Bonds3

About 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone

2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 119791808) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
PubChem CID119791808
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)COC2CNC2)CC1C
InChIInChI=1S/C11H20N2O2/c1-8-5-13(6-9(8)2)11(14)7-15-10-3-12-4-10/h8-10,12H,3-7H2,1-2H3
InChIKeyAGRCAAMKFAIKRC-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone (CID 119791808) is 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone is CC1CN(C(=O)COC2CNC2)CC1C.
What is the InChIKey of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is AGRCAAMKFAIKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-5-13(6-9(8)2)11(14)7-15-10-3-12-4-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 119791808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).