2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one

C11H22N2O — CID 176832521

IUPAC2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one
SMILESCC(C)N1NCCC1C(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13-9(6-7-12-13)10(14)11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyMTGVEZSACPZEOP-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.59
Rot. Bonds2

About 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one

2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one (PubChem CID 176832521) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one
PubChem CID176832521
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one
SMILESCC(C)N1NCCC1C(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13-9(6-7-12-13)10(14)11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyMTGVEZSACPZEOP-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

Analyze 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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
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-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid
CID 174671152
1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 59900109
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 19385104
1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
CID 176834113
2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 62089527

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one (CID 176832521) is 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one is CC(C)N1NCCC1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one?
The InChIKey is MTGVEZSACPZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13-9(6-7-12-13)10(14)11(3,4)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one?
2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-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 2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one is sourced from PubChem (CID 176832521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).