4H-isoindole

C8H7N — CID 57015883

IUPAC4H-isoindole
SMILESC1=CCC2=CN=CC2=C1
InChIInChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-3,5-6H,4H2
InChIKeyVQYDPVKMWKWKPQ-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.84
Rot. Bonds

About 4H-isoindole

4H-isoindole (PubChem CID 57015883) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 4H-isoindole.

Molecular Properties

Compound Name4H-isoindole
PubChem CID57015883
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name4H-isoindole
SMILESC1=CCC2=CN=CC2=C1
InChIInChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-3,5-6H,4H2
InChIKeyVQYDPVKMWKWKPQ-UHFFFAOYSA-N
XLogP1.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-isoindole?
The IUPAC name of 4H-isoindole (CID 57015883) is 4H-isoindole.
What is the SMILES notation for 4H-isoindole?
The canonical SMILES for 4H-isoindole is C1=CCC2=CN=CC2=C1.
What is the InChIKey of 4H-isoindole?
The InChIKey is VQYDPVKMWKWKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-3,5-6H,4H2.
What are the key properties of 4H-isoindole?
4H-isoindole has a molecular weight of 117.15 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-isoindole is sourced from PubChem (CID 57015883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).