(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one

C7H13NO2 — CID 129391869

IUPAC(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one
SMILESCN1CC(C)(C)[C@H](O)C1=O
InChIInChI=1S/C7H13NO2/c1-7(2)4-8(3)6(10)5(7)9/h5,9H,4H2,1-3H3/t5-/m1/s1
InChIKeyRRRAQJXASUZZPF-RXMQYKEDSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds

About (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one

(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one (PubChem CID 129391869) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one
PubChem CID129391869
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one
SMILESCN1CC(C)(C)[C@H](O)C1=O
InChIInChI=1S/C7H13NO2/c1-7(2)4-8(3)6(10)5(7)9/h5,9H,4H2,1-3H3/t5-/m1/s1
InChIKeyRRRAQJXASUZZPF-RXMQYKEDSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
1-Ethyl-3-hydroxypyrrolidine-2,5-dione
CID 289368
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
4-Hydroxy-1-methylpyrrolidin-2-one
CID 17811779
1-Ethyl-3-hydroxypyrrolidin-2-one
CID 22726194
(4S)-4-hydroxy-1-methylpyrrolidin-2-one
CID 57237418
(4R)-4-hydroxy-1-methylpyrrolidin-2-one
CID 58967513
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 155411439
1-Ethyl-3-hydroxy-4,4-dimethyl-pyrrolidone-2
CID 129396695
2-[(3S)-3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetamide
CID 11030524
1-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 14380333
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 14380334

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one (CID 129391869) is (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one is CN1CC(C)(C)[C@H](O)C1=O.
What is the InChIKey of (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one?
The InChIKey is RRRAQJXASUZZPF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-8(3)6(10)5(7)9/h5,9H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one?
(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one is sourced from PubChem (CID 129391869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).