1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione

C20H18N2O2 — CID 13202935

IUPAC1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O2/c23-19-10-11-20(24)22(19)13-17(14-6-2-1-3-7-14)16-12-21-18-9-5-4-8-15(16)18/h1-9,12,17,21H,10-11,13H2
InChIKeyVVXWVKAWGHMVLQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.45
Rot. Bonds4

About 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione

1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 13202935) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
PubChem CID13202935
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O2/c23-19-10-11-20(24)22(19)13-17(14-6-2-1-3-7-14)16-12-21-18-9-5-4-8-15(16)18/h1-9,12,17,21H,10-11,13H2
InChIKeyVVXWVKAWGHMVLQ-UHFFFAOYSA-N
XLogP3.45
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-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

2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
3-(2-nitro-1-phenylethyl)-1H-indole
CID 2740778
3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 70571924
(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-2-(1H-indol-3-yl)acetate
CID 170915524
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 8645346
[1-[3-(1H-indol-3-yl)-3-phenylpropyl]piperidin-4-yl]-phenylmethanol
CID 58088658

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione (CID 13202935) is 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is VVXWVKAWGHMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-10-11-20(24)22(19)13-17(14-6-2-1-3-7-14)16-12-21-18-9-5-4-8-15(16)18/h1-9,12,17,21H,10-11,13H2.
What are the key properties of 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione?
1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 318.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 13202935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).