1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one

C9H17NO2 — CID 143012117

IUPAC1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one
SMILESCCN1C(=O)C(C)C(C)(C)C1O
InChIInChI=1S/C9H17NO2/c1-5-10-7(11)6(2)9(3,4)8(10)12/h6,8,12H,5H2,1-4H3
InChIKeyTWUXKOHHWFEIGH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.83
Rot. Bonds1

About 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one

1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one (PubChem CID 143012117) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one
PubChem CID143012117
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one
SMILESCCN1C(=O)C(C)C(C)(C)C1O
InChIInChI=1S/C9H17NO2/c1-5-10-7(11)6(2)9(3,4)8(10)12/h6,8,12H,5H2,1-4H3
InChIKeyTWUXKOHHWFEIGH-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3,5-dihydroxyimidazolidine-2,4-dione
CID 66586311
1,4-diethyl-3-methylazetidin-2-one
CID 123697315
1-ethyl-5-hydroxy-3-methylpyrrolidin-2-one
CID 146385200
(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one
CID 59868894
ethane;1-ethyl-3,5-dimethylpyrrolidin-2-one
CID 178164464
1-ethyl-5-methylimidazolidine-2,4-dione
CID 19007953
[(2S,5S,6S)-3,4,5-trihydroxy-2,6-dimethylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 118011610
1-ethyl-5-hydroxy-4,4-diphenylimidazolidin-2-one
CID 135293152
ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 143012237
6-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64872906
3-ethyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83239439
[(6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate;[(6R)-2,3,5,6-tetrahydroxy-4-methylcyclohexyl] 2-ethyl-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 160652585

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one?
The IUPAC name of 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one (CID 143012117) is 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one is CCN1C(=O)C(C)C(C)(C)C1O.
What is the InChIKey of 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one?
The InChIKey is TWUXKOHHWFEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10-7(11)6(2)9(3,4)8(10)12/h6,8,12H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one?
1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one is sourced from PubChem (CID 143012117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).