3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione

C18H16N2O2 — CID 4296166

IUPAC3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCc3ccccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17-12-16(18(22)20(17)14-7-2-1-3-8-14)19-11-10-13-6-4-5-9-15(13)19/h1-9,16H,10-12H2
InChIKeyMUCSPPYIZOAGTH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.38
Rot. Bonds2

About 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione

3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 4296166) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID4296166
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCc3ccccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17-12-16(18(22)20(17)14-7-2-1-3-8-14)19-11-10-13-6-4-5-9-15(13)19/h1-9,16H,10-12H2
InChIKeyMUCSPPYIZOAGTH-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione (CID 4296166) is 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione is O=C1CC(N2CCc3ccccc32)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is MUCSPPYIZOAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-12-16(18(22)20(17)14-7-2-1-3-8-14)19-11-10-13-6-4-5-9-15(13)19/h1-9,16H,10-12H2.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 292.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 4296166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).