4,7-dimethylidene-2H-isoindole-1,3-diol

C10H9NO2 — CID 54149270

IUPAC4,7-dimethylidene-2H-isoindole-1,3-diol
SMILESC=c1ccc(=C)c2c(O)[nH]c(O)c12
InChIInChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)11-10(8)13/h3-4,11-13H,1-2H2
InChIKeyOGPGGTVERSNSCA-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.40
Rot. Bonds

About 4,7-dimethylidene-2H-isoindole-1,3-diol

4,7-dimethylidene-2H-isoindole-1,3-diol (PubChem CID 54149270) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,7-dimethylidene-2H-isoindole-1,3-diol.

Molecular Properties

Compound Name4,7-dimethylidene-2H-isoindole-1,3-diol
PubChem CID54149270
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4,7-dimethylidene-2H-isoindole-1,3-diol
SMILESC=c1ccc(=C)c2c(O)[nH]c(O)c12
InChIInChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)11-10(8)13/h3-4,11-13H,1-2H2
InChIKeyOGPGGTVERSNSCA-UHFFFAOYSA-N
XLogP0.40
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dihydro-2H-isoindole-1,3-diol
CID 53631027
4,5,6,7-tetrahydro-2H-isoindole-1,3-diol
CID 53631539
4-Azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 54009209
2-(Trichloromethylsulfanyl)-4,7-dihydroisoindole-1,3-diol
CID 54508359
7-(4-fluorophenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 53840913
4-(4-fluorophenyl)-4,7-dihydro-2H-isoindole-1,3-diol
CID 53972612
5-(4-fluorophenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 53990470
3-cyclohexyl-1H-pyrrole-2,5-diol
CID 54165488
3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
CID 54515667
8-Methyl-10-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 90872933
3-ethenyl-4-methyl-1H-pyrrole-2,5-diol
CID 91549041
4-Azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53631084

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylidene-2H-isoindole-1,3-diol?
The IUPAC name of 4,7-dimethylidene-2H-isoindole-1,3-diol (CID 54149270) is 4,7-dimethylidene-2H-isoindole-1,3-diol.
What is the SMILES notation for 4,7-dimethylidene-2H-isoindole-1,3-diol?
The canonical SMILES for 4,7-dimethylidene-2H-isoindole-1,3-diol is C=c1ccc(=C)c2c(O)[nH]c(O)c12.
What is the InChIKey of 4,7-dimethylidene-2H-isoindole-1,3-diol?
The InChIKey is OGPGGTVERSNSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)11-10(8)13/h3-4,11-13H,1-2H2.
What are the key properties of 4,7-dimethylidene-2H-isoindole-1,3-diol?
4,7-dimethylidene-2H-isoindole-1,3-diol has a molecular weight of 175.19 g/mol, XLogP of 0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylidene-2H-isoindole-1,3-diol is sourced from PubChem (CID 54149270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).