tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate

C14H18N2O2 — CID 121004439

IUPACtert-butyl N-(1H-indol-5-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16(4)11-5-6-12-10(9-11)7-8-15-12/h5-9,15H,1-4H3
InChIKeyUFFWKWVEXBCHML-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.54
Rot. Bonds1

About tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate

tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate (PubChem CID 121004439) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-indol-5-yl)-N-methylcarbamate
PubChem CID121004439
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nametert-butyl N-(1H-indol-5-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16(4)11-5-6-12-10(9-11)7-8-15-12/h5-9,15H,1-4H3
InChIKeyUFFWKWVEXBCHML-UHFFFAOYSA-N
XLogP3.54
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate (CID 121004439) is tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc2[nH]ccc2c1.
What is the InChIKey of tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate?
The InChIKey is UFFWKWVEXBCHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16(4)11-5-6-12-10(9-11)7-8-15-12/h5-9,15H,1-4H3.
What are the key properties of tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate?
tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate has a molecular weight of 246.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate is sourced from PubChem (CID 121004439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).