2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol

C10H15NO2 — CID 91512803

IUPAC2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1CCc2c(c(O)n(C)c2O)C1
InChIInChI=1S/C10H15NO2/c1-6-3-4-7-8(5-6)10(13)11(2)9(7)12/h6,12-13H,3-5H2,1-2H3
InChIKeyBUVZSTVWYJPMOY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.56
Rot. Bonds

About 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol

2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 91512803) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID91512803
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1CCc2c(c(O)n(C)c2O)C1
InChIInChI=1S/C10H15NO2/c1-6-3-4-7-8(5-6)10(13)11(2)9(7)12/h6,12-13H,3-5H2,1-2H3
InChIKeyBUVZSTVWYJPMOY-UHFFFAOYSA-N
XLogP1.56
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol 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 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 91512803) is 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol is CC1CCc2c(c(O)n(C)c2O)C1.
What is the InChIKey of 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is BUVZSTVWYJPMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-3-4-7-8(5-6)10(13)11(2)9(7)12/h6,12-13H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 181.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 91512803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).