(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C12H14N2O2 — CID 99728181

IUPAC(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CCNC1)C(=O)N2
InChIInChI=1S/C12H14N2O2/c1-16-8-2-3-10-9(6-8)12(11(15)14-10)4-5-13-7-12/h2-3,6,13H,4-5,7H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyQUFRJMCKEIYCGV-GFCCVEGCSA-N
MW218.26 g/mol
LogP0.88
Rot. Bonds1

About (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 99728181) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID99728181
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@]1(CCNC1)C(=O)N2
InChIInChI=1S/C12H14N2O2/c1-16-8-2-3-10-9(6-8)12(11(15)14-10)4-5-13-7-12/h2-3,6,13H,4-5,7H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyQUFRJMCKEIYCGV-GFCCVEGCSA-N
XLogP0.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-5-methoxyspiro[1H-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 (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 99728181) is (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)[C@]1(CCNC1)C(=O)N2.
What is the InChIKey of (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QUFRJMCKEIYCGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-8-2-3-10-9(6-8)12(11(15)14-10)4-5-13-7-12/h2-3,6,13H,4-5,7H2,1H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 99728181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).