2,6-dihydro-1H-isoindole

C8H9N — CID 19006075

IUPAC2,6-dihydro-1H-isoindole
SMILESC1=CC2=CNCC2=CC1
InChIInChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1,3-5,9H,2,6H2
InChIKeyWCJVQPGFLMJGJE-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.36
Rot. Bonds

About 2,6-dihydro-1H-isoindole

2,6-dihydro-1H-isoindole (PubChem CID 19006075) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 2,6-dihydro-1H-isoindole.

Molecular Properties

Compound Name2,6-dihydro-1H-isoindole
PubChem CID19006075
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name2,6-dihydro-1H-isoindole
SMILESC1=CC2=CNCC2=CC1
InChIInChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1,3-5,9H,2,6H2
InChIKeyWCJVQPGFLMJGJE-UHFFFAOYSA-N
XLogP1.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydro-1H-isoindole?
The IUPAC name of 2,6-dihydro-1H-isoindole (CID 19006075) is 2,6-dihydro-1H-isoindole.
What is the SMILES notation for 2,6-dihydro-1H-isoindole?
The canonical SMILES for 2,6-dihydro-1H-isoindole is C1=CC2=CNCC2=CC1.
What is the InChIKey of 2,6-dihydro-1H-isoindole?
The InChIKey is WCJVQPGFLMJGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1,3-5,9H,2,6H2.
What are the key properties of 2,6-dihydro-1H-isoindole?
2,6-dihydro-1H-isoindole has a molecular weight of 119.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydro-1H-isoindole is sourced from PubChem (CID 19006075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).