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

C21H20N2O3 — CID 2938088

IUPAC2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H20N2O3/c24-19(22-12-10-16(14-22)15-6-2-1-3-7-15)11-13-23-20(25)17-8-4-5-9-18(17)21(23)26/h1-9,16H,10-14H2
InChIKeyGLEZOJKQRIHDTN-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.69
Rot. Bonds4

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

2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione (PubChem CID 2938088) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
PubChem CID2938088
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H20N2O3/c24-19(22-12-10-16(14-22)15-6-2-1-3-7-15)11-13-23-20(25)17-8-4-5-9-18(17)21(23)26/h1-9,16H,10-14H2
InChIKeyGLEZOJKQRIHDTN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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

N-Methylphthalimide
CID 11074
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
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
N-(2-Methylallyl)-phthalimide
CID 231838
N,N'-Trimethylenediphthalimide
CID 248109
alpha-Phthalimidopropiophenone
CID 519663
N-(Phenylseleno)phthalimide
CID 590397
N-Cyclohexylphthalimide
CID 225739

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione (CID 2938088) is 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione is O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is GLEZOJKQRIHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19(22-12-10-16(14-22)15-6-2-1-3-7-15)11-13-23-20(25)17-8-4-5-9-18(17)21(23)26/h1-9,16H,10-14H2.
What are the key properties of 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione?
2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 348.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(3-phenylpyrrolidin-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2938088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).