4,5,6,7-tetrahydro-2H-indole

C8H11N — CID 69011294

IUPAC4,5,6,7-tetrahydro-2H-indole
SMILESC1=C2CCCCC2=NC1
InChIInChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5H,1-4,6H2
InChIKeyBXTHVQKCUNKPRB-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.94
Rot. Bonds

About 4,5,6,7-tetrahydro-2H-indole

4,5,6,7-tetrahydro-2H-indole (PubChem CID 69011294) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2H-indole.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2H-indole
PubChem CID69011294
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4,5,6,7-tetrahydro-2H-indole
SMILESC1=C2CCCCC2=NC1
InChIInChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5H,1-4,6H2
InChIKeyBXTHVQKCUNKPRB-UHFFFAOYSA-N
XLogP1.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5,6,7-tetrahydro-2H-indole 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 4,5,6,7-tetrahydro-2H-indole?
The IUPAC name of 4,5,6,7-tetrahydro-2H-indole (CID 69011294) is 4,5,6,7-tetrahydro-2H-indole.
What is the SMILES notation for 4,5,6,7-tetrahydro-2H-indole?
The canonical SMILES for 4,5,6,7-tetrahydro-2H-indole is C1=C2CCCCC2=NC1.
What is the InChIKey of 4,5,6,7-tetrahydro-2H-indole?
The InChIKey is BXTHVQKCUNKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5H,1-4,6H2.
What are the key properties of 4,5,6,7-tetrahydro-2H-indole?
4,5,6,7-tetrahydro-2H-indole has a molecular weight of 121.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2H-indole is sourced from PubChem (CID 69011294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).