(4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

C20H17N3O3 — CID 56940707

IUPAC(4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESN#Cc1ccc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H17N3O3/c21-10-13-5-7-14(8-6-13)11-26-18(24)17-9-20(12-22-17)15-3-1-2-4-16(15)23-19(20)25/h1-8,17,22H,9,11-12H2,(H,23,25)/t17-,20-/m1/s1
InChIKeyQVGGPTMZUCXDDT-YLJYHZDGSA-N
MW347.37 g/mol
LogP1.85
Rot. Bonds3

About (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

(4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (PubChem CID 56940707) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
PubChem CID56940707
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESN#Cc1ccc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H17N3O3/c21-10-13-5-7-14(8-6-13)11-26-18(24)17-9-20(12-22-17)15-3-1-2-4-16(15)23-19(20)25/h1-8,17,22H,9,11-12H2,(H,23,25)/t17-,20-/m1/s1
InChIKeyQVGGPTMZUCXDDT-YLJYHZDGSA-N
XLogP1.85
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromo-4-Cyanobenzyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940711
Methyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940704
(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 57611775
US11352363, Example 101
CID 163373224
US11352363, Example 7
CID 164777005
benzyl N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-fluoro-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 165414323
Tetrahydro-2h-Pyran-4-Yl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940705
Benzyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940706
1-Cyanocyclohexyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940710
benzyl (2S)-3-(2-oxo-1,3-dihydroindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 145990635
US11352363, Example 40
CID 163372793
US11352363, Example 97
CID 163373018

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The IUPAC name of (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (CID 56940707) is (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is N#Cc1ccc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)cc1.
What is the InChIKey of (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The InChIKey is QVGGPTMZUCXDDT-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H17N3O3/c21-10-13-5-7-14(8-6-13)11-26-18(24)17-9-20(12-22-17)15-3-1-2-4-16(15)23-19(20)25/h1-8,17,22H,9,11-12H2,(H,23,25)/t17-,20-/m1/s1.
What are the key properties of (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
(4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 56940707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).