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

C₁₃H₁₅ClN₂O₂ — CID 155193678

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 Name: Tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate
• PubChem CID: 155193678
• Molecular Formula: C₁₃H₁₅ClN₂O₂
• Molecular Weight: 266.73 g/mol
• Exact Mass: 266.08
• IUPAC Name: tert-butyl N-(4-chloro-1H-indol-7-yl)carbamate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(Cl)c2cc[nH]c12
• InChI: 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)
• InChIKey: YLCURHBLXRQMDJ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.73
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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).

Sources

• PubChem CID 155193678 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.