1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one

C13H21N3O — CID 170193832

IUPAC1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCC1(C2N=CC=N2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C13H21N3O/c1-5-13(10-14-6-7-15-10)8-16(9-13)11(17)12(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyLUENSIMCZVMERY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds2

About 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 170193832) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID170193832
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCC1(C2N=CC=N2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C13H21N3O/c1-5-13(10-14-6-7-15-10)8-16(9-13)11(17)12(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyLUENSIMCZVMERY-UHFFFAOYSA-N
XLogP1.75
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetyl-3-hydroxyazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89212314
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 170063585
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
CID 130842982
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
1-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,2-dimethylpropan-1-one
CID 138562984
1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one
CID 102113418
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562004
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 137444491

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one (CID 170193832) is 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one is CCC1(C2N=CC=N2)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LUENSIMCZVMERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-13(10-14-6-7-15-10)8-16(9-13)11(17)12(2,3)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 170193832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).