tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate

C20H27NO4 — CID 165124460

IUPACtert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C2OC(C)(C)C(C)(C)O2)c2ccccc21
InChIInChI=1S/C20H27NO4/c1-18(2,3)25-17(22)21-12-14(13-10-8-9-11-15(13)21)16-23-19(4,5)20(6,7)24-16/h8-12,16H,1-7H3
InChIKeyZKTXJDWTKPZJOY-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.03
Rot. Bonds1

About tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate

tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate (PubChem CID 165124460) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate
PubChem CID165124460
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Nametert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C2OC(C)(C)C(C)(C)O2)c2ccccc21
InChIInChI=1S/C20H27NO4/c1-18(2,3)25-17(22)21-12-14(13-10-8-9-11-15(13)21)16-23-19(4,5)20(6,7)24-16/h8-12,16H,1-7H3
InChIKeyZKTXJDWTKPZJOY-UHFFFAOYSA-N
XLogP5.03
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-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

tert-butyl 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-2-yl)indole-1-carboxylate
CID 25139429
tert-butyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]indole-1-carboxylate
CID 56969706
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
CID 163971727
CID 163971727
tert-butyl 3-formylindole-1-carboxylate
CID 2764519
tert-butyl 4-oxoquinoline-1-carboxylate
CID 71540334
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-(2-hydroxy-2-methyl-3-oxobutanoyl)indole-1-carboxylate
CID 135064765
tert-butyl 3-[(3-methyloxiran-2-yl)amino]indole-1-carboxylate
CID 175113531
tert-butyl (4S)-2,2-dimethyl-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 97135096
tert-butyl 3-(fluoromethylselanyl)indole-1-carboxylate
CID 175842843

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate?
The IUPAC name of tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate (CID 165124460) is tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate is CC(C)(C)OC(=O)n1cc(C2OC(C)(C)C(C)(C)O2)c2ccccc21.
What is the InChIKey of tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate?
The InChIKey is ZKTXJDWTKPZJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-18(2,3)25-17(22)21-12-14(13-10-8-9-11-15(13)21)16-23-19(4,5)20(6,7)24-16/h8-12,16H,1-7H3.
What are the key properties of tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate?
tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate is sourced from PubChem (CID 165124460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).