2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone

C11H20N2O — CID 115740816

IUPAC2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)CC2CNC2)C1
InChIInChI=1S/C11H20N2O/c1-2-9-3-4-13(8-9)11(14)5-10-6-12-7-10/h9-10,12H,2-8H2,1H3
InChIKeyJKKFSDZXJXPWST-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone

2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone (PubChem CID 115740816) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
PubChem CID115740816
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)CC2CNC2)C1
InChIInChI=1S/C11H20N2O/c1-2-9-3-4-13(8-9)11(14)5-10-6-12-7-10/h9-10,12H,2-8H2,1H3
InChIKeyJKKFSDZXJXPWST-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
CID 134471128
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
2-(azetidin-3-yloxy)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 119821173
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 115774867
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone (CID 115740816) is 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone is CCC1CCN(C(=O)CC2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone?
The InChIKey is JKKFSDZXJXPWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-9-3-4-13(8-9)11(14)5-10-6-12-7-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone?
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 115740816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).