1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one

C11H21NO2 — CID 155765558

IUPAC1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCOC1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-5-14-9-7-12(8-9)10(13)6-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyAEIJCACVMHOPOX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one

1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 155765558) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID155765558
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCOC1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-5-14-9-7-12(8-9)10(13)6-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyAEIJCACVMHOPOX-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one (CID 155765558) is 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one is CCOC1CN(C(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is AEIJCACVMHOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-14-9-7-12(8-9)10(13)6-11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyazetidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 155765558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).