(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione

C13H15NO3 — CID 100953267

IUPAC(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@@H]1O
InChIInChI=1S/C13H15NO3/c1-13(2)10(15)11(16)14(12(13)17)8-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3/t10-/m0/s1
InChIKeyDYXFXAGYCFJIJQ-JTQLQIEISA-N
MW233.27 g/mol
LogP0.94
Rot. Bonds2

About (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione

(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 100953267) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID100953267
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@@H]1O
InChIInChI=1S/C13H15NO3/c1-13(2)10(15)11(16)14(12(13)17)8-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3/t10-/m0/s1
InChIKeyDYXFXAGYCFJIJQ-JTQLQIEISA-N
XLogP0.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
3-benzyl-6-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82380265
4-(4-aminocyclohexyl)oxy-1-benzyl-3,3-dimethylpyrrolidine-2,5-dione
CID 171536722
1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
CID 102400070
(3R,4S)-1-benzyl-4-hydroxy-3,5,5-trimethylpiperidin-2-one
CID 102330721
(3aR,4R,7S,7aR)-2-benzyl-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 124910195
(1R,2S,6S,7R)-4-benzyl-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23308446
6-benzyl-4a-methyl-2,3,4,7a-tetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 70812884
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129188
(3aR,4S,7S,7aR)-2-benzyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99734182

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione (CID 100953267) is (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@@H]1O.
What is the InChIKey of (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is DYXFXAGYCFJIJQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)10(15)11(16)14(12(13)17)8-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 100953267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).