tert-butyl 2,3-dimethylindole-1-carboxylate

C15H19NO2 — CID 13429993

IUPACtert-butyl 2,3-dimethylindole-1-carboxylate
SMILESCc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C15H19NO2/c1-10-11(2)16(14(17)18-15(3,4)5)13-9-7-6-8-12(10)13/h6-9H,1-5H3
InChIKeyMWUGZZPQJQFYRE-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.04
Rot. Bonds

About tert-butyl 2,3-dimethylindole-1-carboxylate

tert-butyl 2,3-dimethylindole-1-carboxylate (PubChem CID 13429993) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl 2,3-dimethylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dimethylindole-1-carboxylate
PubChem CID13429993
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nametert-butyl 2,3-dimethylindole-1-carboxylate
SMILESCc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C15H19NO2/c1-10-11(2)16(14(17)18-15(3,4)5)13-9-7-6-8-12(10)13/h6-9H,1-5H3
InChIKeyMWUGZZPQJQFYRE-UHFFFAOYSA-N
XLogP4.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2,3-dimethylindole-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dimethylindole-1-carboxylate?
The IUPAC name of tert-butyl 2,3-dimethylindole-1-carboxylate (CID 13429993) is tert-butyl 2,3-dimethylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dimethylindole-1-carboxylate?
The canonical SMILES for tert-butyl 2,3-dimethylindole-1-carboxylate is Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl 2,3-dimethylindole-1-carboxylate?
The InChIKey is MWUGZZPQJQFYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-11(2)16(14(17)18-15(3,4)5)13-9-7-6-8-12(10)13/h6-9H,1-5H3.
What are the key properties of tert-butyl 2,3-dimethylindole-1-carboxylate?
tert-butyl 2,3-dimethylindole-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dimethylindole-1-carboxylate is sourced from PubChem (CID 13429993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).