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

C20H24N2OS — CID 118743279

IUPAC1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(Cc3cccs3)C2)c2ccccc21
InChIInChI=1S/C20H24N2OS/c1-15(2)12-22-18-8-4-3-7-17(18)20(19(22)23)9-10-21(14-20)13-16-6-5-11-24-16/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyUCGNYNHORXRBME-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.89
Rot. Bonds4

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

1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 118743279) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID118743279
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(Cc3cccs3)C2)c2ccccc21
InChIInChI=1S/C20H24N2OS/c1-15(2)12-22-18-8-4-3-7-17(18)20(19(22)23)9-10-21(14-20)13-16-6-5-11-24-16/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyUCGNYNHORXRBME-UHFFFAOYSA-N
XLogP3.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 118743279) is 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC(C)CN1C(=O)C2(CCN(Cc3cccs3)C2)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is UCGNYNHORXRBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15(2)12-22-18-8-4-3-7-17(18)20(19(22)23)9-10-21(14-20)13-16-6-5-11-24-16/h3-8,11,15H,9-10,12-14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 340.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118743279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).