4,7-dimethyl-2H-isoindole

C10H11N — CID 589371

IUPAC4,7-dimethyl-2H-isoindole
SMILESCc1ccc(C)c2c[nH]cc12
InChIInChI=1S/C10H11N/c1-7-3-4-8(2)10-6-11-5-9(7)10/h3-6,11H,1-2H3
InChIKeyCFFSDFXMZAJNOR-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.78
Rot. Bonds

About 4,7-dimethyl-2H-isoindole

4,7-dimethyl-2H-isoindole (PubChem CID 589371) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4,7-dimethyl-2H-isoindole.

Molecular Properties

Compound Name4,7-dimethyl-2H-isoindole
PubChem CID589371
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4,7-dimethyl-2H-isoindole
SMILESCc1ccc(C)c2c[nH]cc12
InChIInChI=1S/C10H11N/c1-7-3-4-8(2)10-6-11-5-9(7)10/h3-6,11H,1-2H3
InChIKeyCFFSDFXMZAJNOR-UHFFFAOYSA-N
XLogP2.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2H-isoindole?
The IUPAC name of 4,7-dimethyl-2H-isoindole (CID 589371) is 4,7-dimethyl-2H-isoindole.
What is the SMILES notation for 4,7-dimethyl-2H-isoindole?
The canonical SMILES for 4,7-dimethyl-2H-isoindole is Cc1ccc(C)c2c[nH]cc12.
What is the InChIKey of 4,7-dimethyl-2H-isoindole?
The InChIKey is CFFSDFXMZAJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7-3-4-8(2)10-6-11-5-9(7)10/h3-6,11H,1-2H3.
What are the key properties of 4,7-dimethyl-2H-isoindole?
4,7-dimethyl-2H-isoindole has a molecular weight of 145.20 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2H-isoindole is sourced from PubChem (CID 589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).