tert-butyl N-(1H-indol-6-ylmethyl)carbamate

C14H18N2O2 — CID 58686842

IUPACtert-butyl N-(1H-indol-6-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-10-4-5-11-6-7-15-12(11)8-10/h4-8,15H,9H2,1-3H3,(H,16,17)
InChIKeyKMIBJNHODWQTOU-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.19
Rot. Bonds2

About tert-butyl N-(1H-indol-6-ylmethyl)carbamate

tert-butyl N-(1H-indol-6-ylmethyl)carbamate (PubChem CID 58686842) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-(1H-indol-6-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-indol-6-ylmethyl)carbamate
PubChem CID58686842
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nametert-butyl N-(1H-indol-6-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-10-4-5-11-6-7-15-12(11)8-10/h4-8,15H,9H2,1-3H3,(H,16,17)
InChIKeyKMIBJNHODWQTOU-UHFFFAOYSA-N
XLogP3.19
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(1H-indol-6-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-indol-6-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1H-indol-6-ylmethyl)carbamate (CID 58686842) is tert-butyl N-(1H-indol-6-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-indol-6-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1H-indol-6-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1ccc2cc[nH]c2c1.
What is the InChIKey of tert-butyl N-(1H-indol-6-ylmethyl)carbamate?
The InChIKey is KMIBJNHODWQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-10-4-5-11-6-7-15-12(11)8-10/h4-8,15H,9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(1H-indol-6-ylmethyl)carbamate?
tert-butyl N-(1H-indol-6-ylmethyl)carbamate has a molecular weight of 246.31 g/mol, XLogP of 3.19, 2 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-6-ylmethyl)carbamate is sourced from PubChem (CID 58686842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).