1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

C22H20N2OS — CID 134788387

IUPAC1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1ccsc1)C2
InChIInChI=1S/C22H20N2OS/c25-21-22(11-12-23(16-22)14-17-10-13-26-15-17)19-8-4-5-9-20(19)24(21)18-6-2-1-3-7-18/h1-10,13,15H,11-12,14,16H2
InChIKeyIODRGVHNBYLRDM-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.57
Rot. Bonds3

About 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134788387) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134788387
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1ccsc1)C2
InChIInChI=1S/C22H20N2OS/c25-21-22(11-12-23(16-22)14-17-10-13-26-15-17)19-8-4-5-9-20(19)24(21)18-6-2-1-3-7-18/h1-10,13,15H,11-12,14,16H2
InChIKeyIODRGVHNBYLRDM-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 134788387) is 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is O=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1ccsc1)C2.
What is the InChIKey of 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IODRGVHNBYLRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c25-21-22(11-12-23(16-22)14-17-10-13-26-15-17)19-8-4-5-9-20(19)24(21)18-6-2-1-3-7-18/h1-10,13,15H,11-12,14,16H2.
What are the key properties of 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 360.48 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134788387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).