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

C11H21ClN2O2 — CID 119791807

IUPAC2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)COC2CNC2)CC1C.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-5-13(6-9(8)2)11(14)7-15-10-3-12-4-10;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyANKPOXCHUBZODG-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.51
Rot. Bonds3

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

2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 119791807) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID119791807
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1CN(C(=O)COC2CNC2)CC1C.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-5-13(6-9(8)2)11(14)7-15-10-3-12-4-10;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyANKPOXCHUBZODG-UHFFFAOYSA-N
XLogP0.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 119791808
1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
CID 119669536
2-(azetidin-3-yloxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 63107383
2-(azetidin-3-yloxy)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 119821173
1-(3,5-dimethylpiperidin-1-yl)-2-piperidin-4-yloxyethanone
CID 63875663
1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611691
4-[2-(azetidin-3-yloxy)acetyl]piperazin-2-one
CID 119681648
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603485
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
3-chloro-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79183317
[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite
CID 156798881
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethoxyethanone
CID 66212770

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride (CID 119791807) is 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride is CC1CN(C(=O)COC2CNC2)CC1C.Cl.
What is the InChIKey of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is ANKPOXCHUBZODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-8-5-13(6-9(8)2)11(14)7-15-10-3-12-4-10;/h8-10,12H,3-7H2,1-2H3;1H.
What are the key properties of 2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.51, 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;hydrochloride is sourced from PubChem (CID 119791807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).