1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

C17H31NO2 — CID 58194882

IUPAC1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)C)C(C(=O)C(C)(C)C)C1C
InChIInChI=1S/C17H31NO2/c1-9-12-10-18(15(20)17(6,7)8)13(11(12)2)14(19)16(3,4)5/h11-13H,9-10H2,1-8H3
InChIKeyOXSXKQORXOHDCC-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.52
Rot. Bonds2

About 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 58194882) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID58194882
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)C)C(C(=O)C(C)(C)C)C1C
InChIInChI=1S/C17H31NO2/c1-9-12-10-18(15(20)17(6,7)8)13(11(12)2)14(19)16(3,4)5/h11-13H,9-10H2,1-8H3
InChIKeyOXSXKQORXOHDCC-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-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

(2S,4R)-1-(2,2-dimethylpropanoyl)-4-fluoro-3-methylpyrrolidine-2-carboxylic acid
CID 130184639
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid
CID 21341206
2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
CID 127012089
1-(2-azabicyclo[2.2.2]octan-2-yl)-2,2-dimethylpropan-1-one
CID 20653223
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 155238412
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 131036550
tert-butyl (2R,3R)-3-ethyl-2-propylazetidine-1-carboxylate
CID 130927966
1-(1,3-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 59900109

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (CID 58194882) is 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is CCC1CN(C(=O)C(C)(C)C)C(C(=O)C(C)(C)C)C1C.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OXSXKQORXOHDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-9-12-10-18(15(20)17(6,7)8)13(11(12)2)14(19)16(3,4)5/h11-13H,9-10H2,1-8H3.
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)-4-ethyl-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58194882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).