tert-butyl 2-hydroxyindole-1-carboxylate

C13H15NO3 — CID 59887114

IUPACtert-butyl 2-hydroxyindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(O)cc2ccccc21
InChIInChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-10-7-5-4-6-9(10)8-11(14)15/h4-8,15H,1-3H3
InChIKeyPFMUNWBSVHTBJF-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.13
Rot. Bonds

About tert-butyl 2-hydroxyindole-1-carboxylate

tert-butyl 2-hydroxyindole-1-carboxylate (PubChem CID 59887114) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl 2-hydroxyindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hydroxyindole-1-carboxylate
PubChem CID59887114
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nametert-butyl 2-hydroxyindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(O)cc2ccccc21
InChIInChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-10-7-5-4-6-9(10)8-11(14)15/h4-8,15H,1-3H3
InChIKeyPFMUNWBSVHTBJF-UHFFFAOYSA-N
XLogP3.13
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxyindole-1-carboxylate?
The IUPAC name of tert-butyl 2-hydroxyindole-1-carboxylate (CID 59887114) is tert-butyl 2-hydroxyindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-hydroxyindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-hydroxyindole-1-carboxylate is CC(C)(C)OC(=O)n1c(O)cc2ccccc21.
What is the InChIKey of tert-butyl 2-hydroxyindole-1-carboxylate?
The InChIKey is PFMUNWBSVHTBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-10-7-5-4-6-9(10)8-11(14)15/h4-8,15H,1-3H3.
What are the key properties of tert-butyl 2-hydroxyindole-1-carboxylate?
tert-butyl 2-hydroxyindole-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxyindole-1-carboxylate is sourced from PubChem (CID 59887114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).