(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione

C20H18N2O2 — CID 2219919

IUPAC(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C1=O
InChIInChI=1S/C20H18N2O2/c1-21-19(23)11-16(20(21)24)17-13-22(12-14-7-3-2-4-8-14)18-10-6-5-9-15(17)18/h2-10,13,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyZDKIKKYXKQLIFS-INIZCTEOSA-N
MW318.38 g/mol
LogP3.16
Rot. Bonds3

About (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione

(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 2219919) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID2219919
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C1=O
InChIInChI=1S/C20H18N2O2/c1-21-19(23)11-16(20(21)24)17-13-22(12-14-7-3-2-4-8-14)18-10-6-5-9-15(17)18/h2-10,13,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyZDKIKKYXKQLIFS-INIZCTEOSA-N
XLogP3.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-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

3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
CID 4313715
1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
CID 23605678
3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 2988657
1-(4-bromophenyl)-3-(1-ethylindol-3-yl)pyrrolidine-2,5-dione
CID 2981951
ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate
CID 134811783
(3R)-1-(4-bromophenyl)-3-(1-butylindol-3-yl)pyrrolidine-2,5-dione
CID 2032601
(3S)-1-(4-bromophenyl)-3-(1-butylindol-3-yl)pyrrolidine-2,5-dione
CID 2032606
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194
3-(1-benzylindol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 170557372
(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol
CID 70694930
(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
CID 2010895
1-benzyl-3-methylindole;ethane
CID 145343697

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione (CID 2219919) is (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C1=O.
What is the InChIKey of (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is ZDKIKKYXKQLIFS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-21-19(23)11-16(20(21)24)17-13-22(12-14-7-3-2-4-8-14)18-10-6-5-9-15(17)18/h2-10,13,16H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione?
(3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 318.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-benzylindol-3-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 2219919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).