4,5,6,7-tetramethyl-1H-isoindole

C12H15N — CID 21034553

IUPAC4,5,6,7-tetramethyl-1H-isoindole
SMILESCc1c(C)c(C)c2c(c1C)C=NC2
InChIInChI=1S/C12H15N/c1-7-8(2)10(4)12-6-13-5-11(12)9(7)3/h5H,6H2,1-4H3
InChIKeyOFOOPWKVVSXIJM-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.85
Rot. Bonds

About 4,5,6,7-tetramethyl-1H-isoindole

4,5,6,7-tetramethyl-1H-isoindole (PubChem CID 21034553) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-1H-isoindole.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-1H-isoindole
PubChem CID21034553
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4,5,6,7-tetramethyl-1H-isoindole
SMILESCc1c(C)c(C)c2c(c1C)C=NC2
InChIInChI=1S/C12H15N/c1-7-8(2)10(4)12-6-13-5-11(12)9(7)3/h5H,6H2,1-4H3
InChIKeyOFOOPWKVVSXIJM-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5,6,7-tetramethyl-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-1H-isoindole?
The IUPAC name of 4,5,6,7-tetramethyl-1H-isoindole (CID 21034553) is 4,5,6,7-tetramethyl-1H-isoindole.
What is the SMILES notation for 4,5,6,7-tetramethyl-1H-isoindole?
The canonical SMILES for 4,5,6,7-tetramethyl-1H-isoindole is Cc1c(C)c(C)c2c(c1C)C=NC2.
What is the InChIKey of 4,5,6,7-tetramethyl-1H-isoindole?
The InChIKey is OFOOPWKVVSXIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-7-8(2)10(4)12-6-13-5-11(12)9(7)3/h5H,6H2,1-4H3.
What are the key properties of 4,5,6,7-tetramethyl-1H-isoindole?
4,5,6,7-tetramethyl-1H-isoindole has a molecular weight of 173.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-1H-isoindole is sourced from PubChem (CID 21034553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).