tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate

C13H15ClN2O2 — CID 155193678

IUPACtert-butyl N-(4-chloro-1H-indol-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)c2cc[nH]c12
InChIInChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-10-5-4-9(14)8-6-7-15-11(8)10/h4-7,15H,1-3H3,(H,16,17)
InChIKeyYLCURHBLXRQMDJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP4.17
Rot. Bonds1

About tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate

tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate (PubChem CID 155193678) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chloro-1H-indol-7-yl)carbamate
PubChem CID155193678
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Nametert-butyl N-(4-chloro-1H-indol-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)c2cc[nH]c12
InChIInChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-10-5-4-9(14)8-6-7-15-11(8)10/h4-7,15H,1-3H3,(H,16,17)
InChIKeyYLCURHBLXRQMDJ-UHFFFAOYSA-N
XLogP4.17
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate?
The IUPAC name of tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate (CID 155193678) is tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Cl)c2cc[nH]c12.
What is the InChIKey of tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate?
The InChIKey is YLCURHBLXRQMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-10-5-4-9(14)8-6-7-15-11(8)10/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate?
tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate has a molecular weight of 266.73 g/mol, XLogP of 4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate is sourced from PubChem (CID 155193678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).