1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione

C21H20N2O2 — CID 23605678

IUPAC1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
SMILESCCCn1cc(C2CC(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C21H20N2O2/c1-2-12-22-14-18(16-10-6-7-11-19(16)22)17-13-20(24)23(21(17)25)15-8-4-3-5-9-15/h3-11,14,17H,2,12-13H2,1H3
InChIKeyRPJKGGXEKHUVJB-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.10
Rot. Bonds4

About 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione

1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione (PubChem CID 23605678) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
PubChem CID23605678
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
SMILESCCCn1cc(C2CC(=O)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C21H20N2O2/c1-2-12-22-14-18(16-10-6-7-11-19(16)22)17-13-20(24)23(21(17)25)15-8-4-3-5-9-15/h3-11,14,17H,2,12-13H2,1H3
InChIKeyRPJKGGXEKHUVJB-UHFFFAOYSA-N
XLogP4.10
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.10
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 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione (CID 23605678) is 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione is CCCn1cc(C2CC(=O)N(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is RPJKGGXEKHUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-12-22-14-18(16-10-6-7-11-19(16)22)17-13-20(24)23(21(17)25)15-8-4-3-5-9-15/h3-11,14,17H,2,12-13H2,1H3.
What are the key properties of 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione?
1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 23605678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).