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

C17H16N4O4 — CID 168880593

IUPACN-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide
SMILESN#CC1C[C@@]2(CN1C(=O)CNC(=O)CC=O)C(=O)Nc1ccccc12
InChIInChI=1S/C17H16N4O4/c18-8-11-7-17(12-3-1-2-4-13(12)20-16(17)25)10-21(11)15(24)9-19-14(23)5-6-22/h1-4,6,11H,5,7,9-10H2,(H,19,23)(H,20,25)/t11?,17-/m0/s1
InChIKeyCVFYXLVIKUOEOC-KLLZUTDZSA-N
MW340.34 g/mol
LogP-0.29
Rot. Bonds4

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

N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide (PubChem CID 168880593) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide.

Molecular Properties

Compound NameN-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide
PubChem CID168880593
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide
SMILESN#CC1C[C@@]2(CN1C(=O)CNC(=O)CC=O)C(=O)Nc1ccccc12
InChIInChI=1S/C17H16N4O4/c18-8-11-7-17(12-3-1-2-4-13(12)20-16(17)25)10-21(11)15(24)9-19-14(23)5-6-22/h1-4,6,11H,5,7,9-10H2,(H,19,23)(H,20,25)/t11?,17-/m0/s1
InChIKeyCVFYXLVIKUOEOC-KLLZUTDZSA-N
XLogP-0.29
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide 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-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide?
The IUPAC name of N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide (CID 168880593) is N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide.
What is the SMILES notation for N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide?
The canonical SMILES for N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide is N#CC1C[C@@]2(CN1C(=O)CNC(=O)CC=O)C(=O)Nc1ccccc12.
What is the InChIKey of N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide?
The InChIKey is CVFYXLVIKUOEOC-KLLZUTDZSA-N. The full InChI is InChI=1S/C17H16N4O4/c18-8-11-7-17(12-3-1-2-4-13(12)20-16(17)25)10-21(11)15(24)9-19-14(23)5-6-22/h1-4,6,11H,5,7,9-10H2,(H,19,23)(H,20,25)/t11?,17-/m0/s1.
What are the key properties of N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide?
N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide has a molecular weight of 340.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoethyl]-3-oxopropanamide is sourced from PubChem (CID 168880593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).