2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione

C18H14N2O3 — CID 142755205

IUPAC2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
SMILESO=C1N[C@H](c2ccccc2)C[C@@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c21-16-15(10-14(19-16)11-6-2-1-3-7-11)20-17(22)12-8-4-5-9-13(12)18(20)23/h1-9,14-15H,10H2,(H,19,21)/t14-,15-/m0/s1
InChIKeySOEHMWVYJTYCTP-GJZGRUSLSA-N
MW306.32 g/mol
LogP1.91
Rot. Bonds2

About 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione

2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione (PubChem CID 142755205) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
PubChem CID142755205
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
SMILESO=C1N[C@H](c2ccccc2)C[C@@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c21-16-15(10-14(19-16)11-6-2-1-3-7-11)20-17(22)12-8-4-5-9-13(12)18(20)23/h1-9,14-15H,10H2,(H,19,21)/t14-,15-/m0/s1
InChIKeySOEHMWVYJTYCTP-GJZGRUSLSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione
CID 10640444
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
CID 99646622
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 91591952
2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione (CID 142755205) is 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione is O=C1N[C@H](c2ccccc2)C[C@@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione?
The InChIKey is SOEHMWVYJTYCTP-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-15(10-14(19-16)11-6-2-1-3-7-11)20-17(22)12-8-4-5-9-13(12)18(20)23/h1-9,14-15H,10H2,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione?
2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione has a molecular weight of 306.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 142755205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).