2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol

C12H14N2O4 — CID 90769450

IUPAC2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
SMILESCn1c(O)c2c(c1O)Cc1c(c(O)n(C)c1O)C2
InChIInChI=1S/C12H14N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h15-18H,3-4H2,1-2H3
InChIKeyAEPXDWYYASXYLR-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.68
Rot. Bonds

About 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol

2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol (PubChem CID 90769450) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol.

Molecular Properties

Compound Name2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
PubChem CID90769450
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
SMILESCn1c(O)c2c(c1O)Cc1c(c(O)n(C)c1O)C2
InChIInChI=1S/C12H14N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h15-18H,3-4H2,1-2H3
InChIKeyAEPXDWYYASXYLR-UHFFFAOYSA-N
XLogP0.68
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol with MolForge

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Related Compounds

4,10-Diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11,13-pentaene-3,5,9,11-tetrol
CID 53985757
[1,3,5,7-Tetrahydroxy-2-(trifluoromethylsulfonyloxy)-4,8-dihydropyrrolo[3,4-f]isoindol-6-yl] trifluoromethanesulfonate
CID 91374278
2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 12842415
2-[6-[6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)hexylamino]hexyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53634025
4-Ethyl-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11,13-pentaene-3,5,9,11-tetrol
CID 53655842
2-Ethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53685548
2,6-Bis(chloromethyl)-4,8-bis(hydroxymethylidene)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
CID 53726911
1,3-Dihydroxy-4,5,6,7-tetrahydroisoindole-2-carbonitrile
CID 53836461
4,10-Bis(prop-2-enyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11-tetraene-3,5,9,11-tetrol
CID 53933141
4,10-Diethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-2,5,8,11,13-pentaene-3,5,9,11-tetrol
CID 53958613
4-Ethyl-10-methyl-4,10-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5,8,11-tetraene-3,5,9,11-tetrol
CID 54019254
2-(2-Methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54081356

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
The IUPAC name of 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol (CID 90769450) is 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol.
What is the SMILES notation for 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
The canonical SMILES for 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol is Cn1c(O)c2c(c1O)Cc1c(c(O)n(C)c1O)C2.
What is the InChIKey of 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
The InChIKey is AEPXDWYYASXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h15-18H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol has a molecular weight of 250.25 g/mol, XLogP of 0.68, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol is sourced from PubChem (CID 90769450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).