3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione

C22H20N2O3 — CID 91604763

IUPAC3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione
SMILESO=C(Cc1c[nH]c2ccccc12)C1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C22H20N2O3/c25-19(12-15-13-23-17-9-5-4-8-16(15)17)20-21(26)18(24-22(20)27)11-10-14-6-2-1-3-7-14/h1-9,13,18,20,23H,10-12H2,(H,24,27)
InChIKeyRHLLYYIGGOKCKY-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.60
Rot. Bonds6

About 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione

3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione (PubChem CID 91604763) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione
PubChem CID91604763
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione
SMILESO=C(Cc1c[nH]c2ccccc12)C1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C22H20N2O3/c25-19(12-15-13-23-17-9-5-4-8-16(15)17)20-21(26)18(24-22(20)27)11-10-14-6-2-1-3-7-14/h1-9,13,18,20,23H,10-12H2,(H,24,27)
InChIKeyRHLLYYIGGOKCKY-UHFFFAOYSA-N
XLogP2.60
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-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-(3-methylsulfanylpropanoyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione
CID 90971093
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
(3S,6S,9S,12S,15S,18S)-3,6,12-tris(4-aminobutyl)-9-benzyl-15,18-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 656996
CID 87710053
CID 87710053
3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
CID 11426973
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
2-[3-[(2S,5S,8S,11R,14S,17S)-5-benzyl-8,11-bis[3-(diaminomethylideneamino)propyl]-14,17-bis(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]guanidine
CID 11400426
(3S,6S,9R)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-9-(sulfanylmethyl)-1,4,7-triazonane-2,5,8-trione
CID 58652472
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The IUPAC name of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione (CID 91604763) is 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The canonical SMILES for 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione is O=C(Cc1c[nH]c2ccccc12)C1C(=O)NC(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The InChIKey is RHLLYYIGGOKCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-19(12-15-13-23-17-9-5-4-8-16(15)17)20-21(26)18(24-22(20)27)11-10-14-6-2-1-3-7-14/h1-9,13,18,20,23H,10-12H2,(H,24,27).
What are the key properties of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 91604763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).