2-methyl-4,7-dihydroisoindole-1,3-diol

C9H11NO2 — CID 54430110

IUPAC2-methyl-4,7-dihydroisoindole-1,3-diol
SMILESCn1c(O)c2c(c1O)CC=CC2
InChIInChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-3,11-12H,4-5H2,1H3
InChIKeyWGWUSIVQUAGHSS-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.09
Rot. Bonds

About 2-methyl-4,7-dihydroisoindole-1,3-diol

2-methyl-4,7-dihydroisoindole-1,3-diol (PubChem CID 54430110) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-methyl-4,7-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-methyl-4,7-dihydroisoindole-1,3-diol
PubChem CID54430110
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-methyl-4,7-dihydroisoindole-1,3-diol
SMILESCn1c(O)c2c(c1O)CC=CC2
InChIInChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-3,11-12H,4-5H2,1H3
InChIKeyWGWUSIVQUAGHSS-UHFFFAOYSA-N
XLogP1.09
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,7-dihydro-2H-isoindole-1,3-diol
CID 53631027
2-(1,1,2,2-Tetrachloroethylsulfanyl)-4,7-dihydroisoindole-1,3-diol
CID 54409837
2-(Trichloromethylsulfanyl)-4,7-dihydroisoindole-1,3-diol
CID 54508359
3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
CID 54515667
3-(3-Hydroxyprop-1-enyl)-1,4-dimethylpyrrole-2,5-diol
CID 123657621
2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 12842415
4,5-dihydro-2H-isoindole-1,3-diol
CID 53631313
2-Octadecyl-4,7-dihydroisoindole-1,3-diol
CID 53636654
4-(2-Ethylheptyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53684006
3,4-diethyl-1H-pyrrole-2,5-diol
CID 53684610
2-Ethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53685548
3,6-Dimethyl-3-azabicyclo[3.1.0]hexa-1,4-diene-2,4-diol
CID 53702734

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,7-dihydroisoindole-1,3-diol?
The IUPAC name of 2-methyl-4,7-dihydroisoindole-1,3-diol (CID 54430110) is 2-methyl-4,7-dihydroisoindole-1,3-diol.
What is the SMILES notation for 2-methyl-4,7-dihydroisoindole-1,3-diol?
The canonical SMILES for 2-methyl-4,7-dihydroisoindole-1,3-diol is Cn1c(O)c2c(c1O)CC=CC2.
What is the InChIKey of 2-methyl-4,7-dihydroisoindole-1,3-diol?
The InChIKey is WGWUSIVQUAGHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-3,11-12H,4-5H2,1H3.
What are the key properties of 2-methyl-4,7-dihydroisoindole-1,3-diol?
2-methyl-4,7-dihydroisoindole-1,3-diol has a molecular weight of 165.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,7-dihydroisoindole-1,3-diol is sourced from PubChem (CID 54430110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).