2H-isoindole

C8H7N — CID 3013853

IUPAC2H-isoindole
SMILESc1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-6,9H
InChIKeyVHMICKWLTGFITH-UHFFFAOYSA-N
MW117.15 g/mol
LogP2.17
Rot. Bonds

About 2H-isoindole

2H-isoindole (PubChem CID 3013853) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 2H-isoindole.

Molecular Properties

Compound Name2H-isoindole
PubChem CID3013853
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name2H-isoindole
SMILESc1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-6,9H
InChIKeyVHMICKWLTGFITH-UHFFFAOYSA-N
XLogP2.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2H-isoindole?
The IUPAC name of 2H-isoindole (CID 3013853) is 2H-isoindole.
What is the SMILES notation for 2H-isoindole?
The canonical SMILES for 2H-isoindole is c1ccc2c[nH]cc2c1.
What is the InChIKey of 2H-isoindole?
The InChIKey is VHMICKWLTGFITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-6,9H.
What are the key properties of 2H-isoindole?
2H-isoindole has a molecular weight of 117.15 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-isoindole is sourced from PubChem (CID 3013853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).