1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one

C11H22N2O — CID 176834113

IUPAC1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CC(C(=O)C(C)(C)C)N(C)N1
InChIInChI=1S/C11H22N2O/c1-6-8-7-9(13(5)12-8)10(14)11(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyGGMFWJOUHPVSGS-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.59
Rot. Bonds2

About 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one

1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 176834113) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
PubChem CID176834113
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CC(C(=O)C(C)(C)C)N(C)N1
InChIInChI=1S/C11H22N2O/c1-6-8-7-9(13(5)12-8)10(14)11(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyGGMFWJOUHPVSGS-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 20752718
1-(4-chloro-5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
CID 176833238
1-[(2S)-2-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpropan-1-one
CID 177325234
1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one
CID 58341263
1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 167367783
2,2-dimethyl-1-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propan-1-one
CID 169320620
1-[(2S,4R,5R)-1-tert-butyl-4,5-dimethylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 135198397
1-[(2S,3aS,6aS)-1-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-2,2-dimethylpropan-1-one
CID 58849893
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
(1R,3R,5R)-3-(2,2-dimethylpropanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66973105
1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
CID 159165374
2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one
CID 176832521

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one (CID 176834113) is 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one is CCC1CC(C(=O)C(C)(C)C)N(C)N1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GGMFWJOUHPVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-8-7-9(13(5)12-8)10(14)11(2,3)4/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one?
1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176834113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).