6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H24ClFN2O — CID 123749457

IUPAC6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC=C(F)CC1CNC(CC(C)(C)C)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C19H24ClFN2O/c1-11(21)7-12-10-22-16(9-18(2,3)4)19(12)14-6-5-13(20)8-15(14)23-17(19)24/h5-6,8,12,16,22H,1,7,9-10H2,2-4H3,(H,23,24)
InChIKeyHAOVAJBUBPYFSC-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.43
Rot. Bonds3

About 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 123749457) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID123749457
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC=C(F)CC1CNC(CC(C)(C)C)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C19H24ClFN2O/c1-11(21)7-12-10-22-16(9-18(2,3)4)19(12)14-6-5-13(20)8-15(14)23-17(19)24/h5-6,8,12,16,22H,1,7,9-10H2,2-4H3,(H,23,24)
InChIKeyHAOVAJBUBPYFSC-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[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 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 123749457) is 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is C=C(F)CC1CNC(CC(C)(C)C)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HAOVAJBUBPYFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O/c1-11(21)7-12-10-22-16(9-18(2,3)4)19(12)14-6-5-13(20)8-15(14)23-17(19)24/h5-6,8,12,16,22H,1,7,9-10H2,2-4H3,(H,23,24).
What are the key properties of 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 350.87 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2'-(2,2-dimethylpropyl)-4'-(2-fluoroprop-2-enyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 123749457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).