1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one

C15H29NO — CID 20752718

IUPAC1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CC(C(=O)C(C)(C)C)N(C(C)(C)C)C1
InChIInChI=1S/C15H29NO/c1-8-11-9-12(13(17)14(2,3)4)16(10-11)15(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyHKOSYSQUDBENPU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds2

About 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one

1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 20752718) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID20752718
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CC(C(=O)C(C)(C)C)N(C(C)(C)C)C1
InChIInChI=1S/C15H29NO/c1-8-11-9-12(13(17)14(2,3)4)16(10-11)15(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyHKOSYSQUDBENPU-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
CID 159165374
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67085688
(2S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86723602
1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
CID 176834113
1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one
CID 58341263
1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one
CID 163499514
1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83990412
tert-butyl (2S,4S)-2-acetyl-4-ethylpyrrolidine-1-carboxylate
CID 90244791
1-O-tert-butyl 2-O-methyl 4-ethylpyrrolidine-1,2-dicarboxylate
CID 85446642
methyl 1,4-diethylpyrrolidine-2-carboxylate
CID 91166358
1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone
CID 89192479

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one (CID 20752718) is 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one is CCC1CC(C(=O)C(C)(C)C)N(C(C)(C)C)C1.
What is the InChIKey of 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is HKOSYSQUDBENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-8-11-9-12(13(17)14(2,3)4)16(10-11)15(5,6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 20752718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).