benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate

C21H24N2O3Si — CID 71064221

IUPACbenzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate
SMILESC[Si](C)(C)OC(C#N)C1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O3Si/c1-27(2,3)26-20(14-22)19-13-17-11-7-8-12-18(17)23(19)21(24)25-15-16-9-5-4-6-10-16/h4-12,19-20H,13,15H2,1-3H3
InChIKeyGCRHONZGVZYTJI-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.50
Rot. Bonds5

About benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate

benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 71064221) has the molecular formula C21H24N2O3Si and a molecular weight of 380.52 g/mol. Its IUPAC name is benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate
PubChem CID71064221
Molecular FormulaC21H24N2O3Si
Molecular Weight380.52 g/mol
Exact Mass380.16
IUPAC Namebenzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate
SMILESC[Si](C)(C)OC(C#N)C1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O3Si/c1-27(2,3)26-20(14-22)19-13-17-11-7-8-12-18(17)23(19)21(24)25-15-16-9-5-4-6-10-16/h4-12,19-20H,13,15H2,1-3H3
InChIKeyGCRHONZGVZYTJI-UHFFFAOYSA-N
XLogP4.50
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-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

benzyl 2-[amino(hydroxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 19795229
benzyl 2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141123853
benzyl 2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2,3-dihydroindole-1-carboxylate
CID 171110489
benzyl (3S)-3-acetyloxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70085551
benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 54108508
6-methyl-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 165438393
benzyl 2-[(E)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]-2,3-dihydroindole-1-carboxylate
CID 102122697
benzyl 2-[3-phenyl-3-(trifluoromethyl)diaziridin-1-yl]-2,3-dihydroindole-1-carboxylate
CID 164935328
benzyl (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxopyrrolidine-1-carboxylate
CID 11024523
3-(1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinolin-3-yl)prop-2-enoic acid
CID 77325549
benzyl (2S)-2-[[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-hydroxymethyl]-2,3-dihydroindole-1-carboxylate
CID 143681120
benzyl 3-[(E)-pent-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 67625561

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate (CID 71064221) is benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate is C[Si](C)(C)OC(C#N)C1Cc2ccccc2N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is GCRHONZGVZYTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3Si/c1-27(2,3)26-20(14-22)19-13-17-11-7-8-12-18(17)23(19)21(24)25-15-16-9-5-4-6-10-16/h4-12,19-20H,13,15H2,1-3H3.
What are the key properties of benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate?
benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 380.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[cyano(trimethylsilyloxy)methyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 71064221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).