tert-butyl N-(1H-indol-3-yl)carbamate

C13H16N2O2 — CID 46318263

IUPACtert-butyl N-(1H-indol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-8-14-10-7-5-4-6-9(10)11/h4-8,14H,1-3H3,(H,15,16)
InChIKeyYIFUEEQYEIDYGJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.51
Rot. Bonds1

About tert-butyl N-(1H-indol-3-yl)carbamate

tert-butyl N-(1H-indol-3-yl)carbamate (PubChem CID 46318263) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-(1H-indol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-indol-3-yl)carbamate
PubChem CID46318263
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nametert-butyl N-(1H-indol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-8-14-10-7-5-4-6-9(10)11/h4-8,14H,1-3H3,(H,15,16)
InChIKeyYIFUEEQYEIDYGJ-UHFFFAOYSA-N
XLogP3.51
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-indol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1H-indol-3-yl)carbamate (CID 46318263) is tert-butyl N-(1H-indol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-indol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1H-indol-3-yl)carbamate is CC(C)(C)OC(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-(1H-indol-3-yl)carbamate?
The InChIKey is YIFUEEQYEIDYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-8-14-10-7-5-4-6-9(10)11/h4-8,14H,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(1H-indol-3-yl)carbamate?
tert-butyl N-(1H-indol-3-yl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-indol-3-yl)carbamate is sourced from PubChem (CID 46318263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).