3,7-dihydro-2H-indole

C8H9N — CID 101383898

IUPAC3,7-dihydro-2H-indole
SMILESC1=CCC2=NCCC2=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-3H,4-6H2
InChIKeyKRPGSKTWQQNABB-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.72
Rot. Bonds

About 3,7-dihydro-2H-indole

3,7-dihydro-2H-indole (PubChem CID 101383898) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3,7-dihydro-2H-indole.

Molecular Properties

Compound Name3,7-dihydro-2H-indole
PubChem CID101383898
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3,7-dihydro-2H-indole
SMILESC1=CCC2=NCCC2=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-3H,4-6H2
InChIKeyKRPGSKTWQQNABB-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,7-dihydro-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 3,7-dihydro-2H-indole?
The IUPAC name of 3,7-dihydro-2H-indole (CID 101383898) is 3,7-dihydro-2H-indole.
What is the SMILES notation for 3,7-dihydro-2H-indole?
The canonical SMILES for 3,7-dihydro-2H-indole is C1=CCC2=NCCC2=C1.
What is the InChIKey of 3,7-dihydro-2H-indole?
The InChIKey is KRPGSKTWQQNABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-3H,4-6H2.
What are the key properties of 3,7-dihydro-2H-indole?
3,7-dihydro-2H-indole has a molecular weight of 119.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydro-2H-indole is sourced from PubChem (CID 101383898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).