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

C20H24N2OS — CID 118743277

IUPAC1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(Cc3ccsc3)C2)c2ccccc21
InChIInChI=1S/C20H24N2OS/c1-15(2)11-22-18-6-4-3-5-17(18)20(19(22)23)8-9-21(14-20)12-16-7-10-24-13-16/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3
InChIKeyFUJSMPLGYNDQRG-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.89
Rot. Bonds4

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

1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 118743277) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID118743277
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(Cc3ccsc3)C2)c2ccccc21
InChIInChI=1S/C20H24N2OS/c1-15(2)11-22-18-6-4-3-5-17(18)20(19(22)23)8-9-21(14-20)12-16-7-10-24-13-16/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3
InChIKeyFUJSMPLGYNDQRG-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-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 118743277) is 1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC(C)CN1C(=O)C2(CCN(Cc3ccsc3)C2)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is FUJSMPLGYNDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15(2)11-22-18-6-4-3-5-17(18)20(19(22)23)8-9-21(14-20)12-16-7-10-24-13-16/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-(2-methylpropyl)-1'-(thiophen-3-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-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118743277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).