1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one

C11H21NO2 — CID 131036550

IUPAC1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCCC1CC(C)CN1C(=O)C(C)(C)O
InChIInChI=1S/C11H21NO2/c1-5-9-6-8(2)7-12(9)10(13)11(3,4)14/h8-9,14H,5-7H2,1-4H3
InChIKeyQHAAKHFNQGRSKK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.40
Rot. Bonds2

About 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one

1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 131036550) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID131036550
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCCC1CC(C)CN1C(=O)C(C)(C)O
InChIInChI=1S/C11H21NO2/c1-5-9-6-8(2)7-12(9)10(13)11(3,4)14/h8-9,14H,5-7H2,1-4H3
InChIKeyQHAAKHFNQGRSKK-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 130747829
propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
CID 143813112
3-bromo-1-(2-ethyl-4-methylpyrrolidin-1-yl)prop-2-yn-1-one
CID 130870129
1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one
CID 119791886
(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 143509162
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 130614753
[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328231
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 71865586
1-[(2R,4S)-2-ethyl-4-methylpyrrolidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 96522709
N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide
CID 95971082
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793891
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 131036550) is 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one is CCC1CC(C)CN1C(=O)C(C)(C)O.
What is the InChIKey of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is QHAAKHFNQGRSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9-6-8(2)7-12(9)10(13)11(3,4)14/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 131036550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).