3-methyl-1H-isoindole

C9H9N — CID 12518873

IUPAC3-methyl-1H-isoindole
SMILESCC1=NCc2ccccc21
InChIInChI=1S/C9H9N/c1-7-9-5-3-2-4-8(9)6-10-7/h2-5H,6H2,1H3
InChIKeyUJIRJKFRYZKGRD-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.01
Rot. Bonds

About 3-methyl-1H-isoindole

3-methyl-1H-isoindole (PubChem CID 12518873) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-methyl-1H-isoindole.

Molecular Properties

Compound Name3-methyl-1H-isoindole
PubChem CID12518873
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name3-methyl-1H-isoindole
SMILESCC1=NCc2ccccc21
InChIInChI=1S/C9H9N/c1-7-9-5-3-2-4-8(9)6-10-7/h2-5H,6H2,1H3
InChIKeyUJIRJKFRYZKGRD-UHFFFAOYSA-N
XLogP2.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-isoindole?
The IUPAC name of 3-methyl-1H-isoindole (CID 12518873) is 3-methyl-1H-isoindole.
What is the SMILES notation for 3-methyl-1H-isoindole?
The canonical SMILES for 3-methyl-1H-isoindole is CC1=NCc2ccccc21.
What is the InChIKey of 3-methyl-1H-isoindole?
The InChIKey is UJIRJKFRYZKGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-7-9-5-3-2-4-8(9)6-10-7/h2-5H,6H2,1H3.
What are the key properties of 3-methyl-1H-isoindole?
3-methyl-1H-isoindole has a molecular weight of 131.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-isoindole is sourced from PubChem (CID 12518873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).