5,6-dihydro-1H-isoindole

C8H9N — CID 54417462

IUPAC5,6-dihydro-1H-isoindole
SMILESC1=NCC2=CCCC=C12
InChIInChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h3-5H,1-2,6H2
InChIKeyVYLJRVWJQRVHSK-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.72
Rot. Bonds

About 5,6-dihydro-1H-isoindole

5,6-dihydro-1H-isoindole (PubChem CID 54417462) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 5,6-dihydro-1H-isoindole.

Molecular Properties

Compound Name5,6-dihydro-1H-isoindole
PubChem CID54417462
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name5,6-dihydro-1H-isoindole
SMILESC1=NCC2=CCCC=C12
InChIInChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h3-5H,1-2,6H2
InChIKeyVYLJRVWJQRVHSK-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 5,6-dihydro-1H-isoindole 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 5,6-dihydro-1H-isoindole?
The IUPAC name of 5,6-dihydro-1H-isoindole (CID 54417462) is 5,6-dihydro-1H-isoindole.
What is the SMILES notation for 5,6-dihydro-1H-isoindole?
The canonical SMILES for 5,6-dihydro-1H-isoindole is C1=NCC2=CCCC=C12.
What is the InChIKey of 5,6-dihydro-1H-isoindole?
The InChIKey is VYLJRVWJQRVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h3-5H,1-2,6H2.
What are the key properties of 5,6-dihydro-1H-isoindole?
5,6-dihydro-1H-isoindole 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 5,6-dihydro-1H-isoindole is sourced from PubChem (CID 54417462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).