2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione

C21H20N2O3 — CID 802259

IUPAC2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione
SMILESO=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1
InChIInChI=1S/C21H20N2O3/c24-19-16-10-4-5-11-17(16)20(25)23(19)18(14-15-8-2-1-3-9-15)21(26)22-12-6-7-13-22/h1-5,8-11,18H,6-7,12-14H2/t18-/m0/s1
InChIKeyDTYVLRZWGHGRPI-SFHVURJKSA-N
MW348.40 g/mol
LogP2.52
Rot. Bonds4

About 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione

2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione (PubChem CID 802259) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione
PubChem CID802259
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione
SMILESO=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1
InChIInChI=1S/C21H20N2O3/c24-19-16-10-4-5-11-17(16)20(25)23(19)18(14-15-8-2-1-3-9-15)21(26)22-12-6-7-13-22/h1-5,8-11,18H,6-7,12-14H2/t18-/m0/s1
InChIKeyDTYVLRZWGHGRPI-SFHVURJKSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
Ethaselen
CID 10387485
N-Ethylphthalimide
CID 21120
2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione
CID 25102845
(R)-Thalidomide
CID 75792
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
N-(2-Methylallyl)-phthalimide
CID 231838

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione (CID 802259) is 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione is O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1.
What is the InChIKey of 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione?
The InChIKey is DTYVLRZWGHGRPI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19-16-10-4-5-11-17(16)20(25)23(19)18(14-15-8-2-1-3-9-15)21(26)22-12-6-7-13-22/h1-5,8-11,18H,6-7,12-14H2/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione?
2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione has a molecular weight of 348.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 802259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).