3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione

C12H13NO3 — CID 85230706

IUPAC3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C12H13NO3/c14-10-8-11(15)13(12(10)16)7-6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2
InChIKeyPEGBUFSLBLGCOS-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.35
Rot. Bonds3

About 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione

3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 85230706) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID85230706
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C12H13NO3/c14-10-8-11(15)13(12(10)16)7-6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2
InChIKeyPEGBUFSLBLGCOS-UHFFFAOYSA-N
XLogP0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.35
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

3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium
CID 7058200
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685
3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 68832075
(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 1356764
(1S,2S,6S,7R)-4-(2-phenylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541210
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane
CID 158512441
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
CID 46298395

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 85230706) is 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione is O=C1CC(O)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is PEGBUFSLBLGCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-10-8-11(15)13(12(10)16)7-6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2.
What are the key properties of 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 85230706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).