1H-isoindole;molecular hydrogen

C8H9N — CID 178015184

IUPAC1H-isoindole;molecular hydrogen
SMILESC1=NCc2ccccc21.[H][H]
InChIInChI=1S/C8H7N.H2/c1-2-4-8-6-9-5-7(8)3-1;/h1-5H,6H2;1H
InChIKeyPLOXRMULVCPNES-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.87
Rot. Bonds

About 1H-isoindole;molecular hydrogen

1H-isoindole;molecular hydrogen (PubChem CID 178015184) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 1H-isoindole;molecular hydrogen.

Molecular Properties

Compound Name1H-isoindole;molecular hydrogen
PubChem CID178015184
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name1H-isoindole;molecular hydrogen
SMILESC1=NCc2ccccc21.[H][H]
InChIInChI=1S/C8H7N.H2/c1-2-4-8-6-9-5-7(8)3-1;/h1-5H,6H2;1H
InChIKeyPLOXRMULVCPNES-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-isoindole;molecular hydrogen?
The IUPAC name of 1H-isoindole;molecular hydrogen (CID 178015184) is 1H-isoindole;molecular hydrogen.
What is the SMILES notation for 1H-isoindole;molecular hydrogen?
The canonical SMILES for 1H-isoindole;molecular hydrogen is C1=NCc2ccccc21.[H][H].
What is the InChIKey of 1H-isoindole;molecular hydrogen?
The InChIKey is PLOXRMULVCPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.H2/c1-2-4-8-6-9-5-7(8)3-1;/h1-5H,6H2;1H.
What are the key properties of 1H-isoindole;molecular hydrogen?
1H-isoindole;molecular hydrogen has a molecular weight of 119.17 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isoindole;molecular hydrogen is sourced from PubChem (CID 178015184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).