1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

C12H22N2O2 — CID 102611691

IUPAC1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1CN(C(=O)COC2(C)CNC2)CC1C
InChIInChI=1S/C12H22N2O2/c1-9-4-14(5-10(9)2)11(15)6-16-12(3)7-13-8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyVJMGDLIOTDRVEU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds3

About 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102611691) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102611691
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1CN(C(=O)COC2(C)CNC2)CC1C
InChIInChI=1S/C12H22N2O2/c1-9-4-14(5-10(9)2)11(15)6-16-12(3)7-13-8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyVJMGDLIOTDRVEU-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (CID 102611691) is 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is CC1CN(C(=O)COC2(C)CNC2)CC1C.
What is the InChIKey of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is VJMGDLIOTDRVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-4-14(5-10(9)2)11(15)6-16-12(3)7-13-8-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 226.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102611691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).