(3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one

C8H15NO2 — CID 129396695

IUPAC(3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one
SMILESCCN1CC(C)(C)[C@@H](O)C1=O
InChIInChI=1S/C8H15NO2/c1-4-9-5-8(2,3)6(10)7(9)11/h6,10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQODPFFMBQMPRNQ-LURJTMIESA-N
MW157.21 g/mol
LogP0.24
Rot. Bonds1

About (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one

(3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one (PubChem CID 129396695) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one
PubChem CID129396695
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one
SMILESCCN1CC(C)(C)[C@@H](O)C1=O
InChIInChI=1S/C8H15NO2/c1-4-9-5-8(2,3)6(10)7(9)11/h6,10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQODPFFMBQMPRNQ-LURJTMIESA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
1-Ethyl-3-hydroxypyrrolidin-2-one
CID 22726194
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 155411439
(2R)-1-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one
CID 130615852
(2S)-1-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one
CID 130686276
2,2-Difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one
CID 130804994
(2-Fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 130900624
(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131110606
(2-fluoro-1-methylcyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 131223606
(2S)-1-(3-fluoro-2-methylpyrrolidin-1-yl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 145697253
2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide
CID 11030524

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one (CID 129396695) is (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one is CCN1CC(C)(C)[C@@H](O)C1=O.
What is the InChIKey of (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
The InChIKey is QODPFFMBQMPRNQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9-5-8(2,3)6(10)7(9)11/h6,10H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one?
(3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 129396695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).