tert-butyl N-(1-benzofuran-3-yl)carbamate

C13H15NO3 — CID 129320172

IUPACtert-butyl N-(1-benzofuran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1coc2ccccc12
InChIInChI=1S/C13H15NO3/c1-13(2,3)17-12(15)14-10-8-16-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15)
InChIKeyTYUPVMGBIXSHEG-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.78
Rot. Bonds1

About tert-butyl N-(1-benzofuran-3-yl)carbamate

tert-butyl N-(1-benzofuran-3-yl)carbamate (PubChem CID 129320172) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl N-(1-benzofuran-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzofuran-3-yl)carbamate
PubChem CID129320172
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nametert-butyl N-(1-benzofuran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1coc2ccccc12
InChIInChI=1S/C13H15NO3/c1-13(2,3)17-12(15)14-10-8-16-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15)
InChIKeyTYUPVMGBIXSHEG-UHFFFAOYSA-N
XLogP3.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzofuran-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzofuran-3-yl)carbamate (CID 129320172) is tert-butyl N-(1-benzofuran-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzofuran-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzofuran-3-yl)carbamate is CC(C)(C)OC(=O)Nc1coc2ccccc12.
What is the InChIKey of tert-butyl N-(1-benzofuran-3-yl)carbamate?
The InChIKey is TYUPVMGBIXSHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2,3)17-12(15)14-10-8-16-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(1-benzofuran-3-yl)carbamate?
tert-butyl N-(1-benzofuran-3-yl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzofuran-3-yl)carbamate is sourced from PubChem (CID 129320172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).