(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one

C13H15NO3 — CID 10036959

IUPAC(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one
SMILESC=C[C@@H]1[C@H](O)[C@@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-10-11(15)12(16)13(17)14(10)8-9-6-4-3-5-7-9/h2-7,10-12,15-16H,1,8H2/t10-,11+,12-/m1/s1
InChIKeySJLGPRCUVWAPFF-GRYCIOLGSA-N
MW233.27 g/mol
LogP0.31
Rot. Bonds3

About (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one

(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one (PubChem CID 10036959) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one
PubChem CID10036959
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one
SMILESC=C[C@@H]1[C@H](O)[C@@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-10-11(15)12(16)13(17)14(10)8-9-6-4-3-5-7-9/h2-7,10-12,15-16H,1,8H2/t10-,11+,12-/m1/s1
InChIKeySJLGPRCUVWAPFF-GRYCIOLGSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one (CID 10036959) is (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one is C=C[C@@H]1[C@H](O)[C@@H](O)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one?
The InChIKey is SJLGPRCUVWAPFF-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-10-11(15)12(16)13(17)14(10)8-9-6-4-3-5-7-9/h2-7,10-12,15-16H,1,8H2/t10-,11+,12-/m1/s1.
What are the key properties of (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one?
(3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-1-benzyl-5-ethenyl-3,4-dihydroxypyrrolidin-2-one is sourced from PubChem (CID 10036959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).