N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide

C18H18N4O3 — CID 166406665

IUPACN-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CC(C#N)C2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N4O3/c1-3-15(23)21(2)10-16(24)22-9-12(8-19)18(11-22)13-6-4-5-7-14(13)20-17(18)25/h3-7,12H,1,9-11H2,2H3,(H,20,25)
InChIKeyJISKZQTUJCWNLS-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.50
Rot. Bonds3

About N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide

N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166406665) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166406665
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CC(C#N)C2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N4O3/c1-3-15(23)21(2)10-16(24)22-9-12(8-19)18(11-22)13-6-4-5-7-14(13)20-17(18)25/h3-7,12H,1,9-11H2,2H3,(H,20,25)
InChIKeyJISKZQTUJCWNLS-UHFFFAOYSA-N
XLogP0.50
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide 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 N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide (CID 166406665) is N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)N1CC(C#N)C2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is JISKZQTUJCWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-15(23)21(2)10-16(24)22-9-12(8-19)18(11-22)13-6-4-5-7-14(13)20-17(18)25/h3-7,12H,1,9-11H2,2H3,(H,20,25).
What are the key properties of N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 338.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166406665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).