(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile

C20H15ClN4O — CID 101474683

IUPAC(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile
SMILESCN1CC(C#N)(C#N)[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O/c1-25-12-19(10-22,11-23)20(17(25)13-6-8-14(21)9-7-13)15-4-2-3-5-16(15)24-18(20)26/h2-9,17H,12H2,1H3,(H,24,26)/t17-,20-/m0/s1
InChIKeyRESRJKXSLNCRMV-PXNSSMCTSA-N
MW362.82 g/mol
LogP3.25
Rot. Bonds1

About (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile

(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile (PubChem CID 101474683) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile.

Molecular Properties

Compound Name(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile
PubChem CID101474683
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile
SMILESCN1CC(C#N)(C#N)[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O/c1-25-12-19(10-22,11-23)20(17(25)13-6-8-14(21)9-7-13)15-4-2-3-5-16(15)24-18(20)26/h2-9,17H,12H2,1H3,(H,24,26)/t17-,20-/m0/s1
InChIKeyRESRJKXSLNCRMV-PXNSSMCTSA-N
XLogP3.25
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile 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'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile?
The IUPAC name of (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile (CID 101474683) is (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile.
What is the SMILES notation for (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile?
The canonical SMILES for (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile is CN1CC(C#N)(C#N)[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile?
The InChIKey is RESRJKXSLNCRMV-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-25-12-19(10-22,11-23)20(17(25)13-6-8-14(21)9-7-13)15-4-2-3-5-16(15)24-18(20)26/h2-9,17H,12H2,1H3,(H,24,26)/t17-,20-/m0/s1.
What are the key properties of (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile?
(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile has a molecular weight of 362.82 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile is sourced from PubChem (CID 101474683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).