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

C17H18N2OS — CID 134791822

IUPAC1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(Cc3ccsc3)C2)c2ccccc21
InChIInChI=1S/C17H18N2OS/c1-18-15-5-3-2-4-14(15)17(16(18)20)7-8-19(12-17)10-13-6-9-21-11-13/h2-6,9,11H,7-8,10,12H2,1H3
InChIKeyNAKWJQRZWQZNAL-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.87
Rot. Bonds2

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

1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134791822) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134791822
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(Cc3ccsc3)C2)c2ccccc21
InChIInChI=1S/C17H18N2OS/c1-18-15-5-3-2-4-14(15)17(16(18)20)7-8-19(12-17)10-13-6-9-21-11-13/h2-6,9,11H,7-8,10,12H2,1H3
InChIKeyNAKWJQRZWQZNAL-UHFFFAOYSA-N
XLogP2.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-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-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 134791822) is 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)C2(CCN(Cc3ccsc3)C2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NAKWJQRZWQZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-18-15-5-3-2-4-14(15)17(16(18)20)7-8-19(12-17)10-13-6-9-21-11-13/h2-6,9,11H,7-8,10,12H2,1H3.
What are the key properties of 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 298.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134791822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).