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

C12H14N2O6 — CID 90812030

IUPAC2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
SMILESCOn1c(O)c2c(c1O)Cc1c(c(O)n(OC)c1O)C2
InChIInChI=1S/C12H14N2O6/c1-19-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(20-2)11(7)17/h15-18H,3-4H2,1-2H3
InChIKeyKEOKJJZEQOWBKE-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.28
Rot. Bonds2

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

2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol (PubChem CID 90812030) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol.

Molecular Properties

Compound Name2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
PubChem CID90812030
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol
SMILESCOn1c(O)c2c(c1O)Cc1c(c(O)n(OC)c1O)C2
InChIInChI=1S/C12H14N2O6/c1-19-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(20-2)11(7)17/h15-18H,3-4H2,1-2H3
InChIKeyKEOKJJZEQOWBKE-UHFFFAOYSA-N
XLogP-0.28
TPSA109.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
The IUPAC name of 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol (CID 90812030) is 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol.
What is the SMILES notation for 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
The canonical SMILES for 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol is COn1c(O)c2c(c1O)Cc1c(c(O)n(OC)c1O)C2.
What is the InChIKey of 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
The InChIKey is KEOKJJZEQOWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-19-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(20-2)11(7)17/h15-18H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol?
2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol has a molecular weight of 282.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4,8-dihydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrol is sourced from PubChem (CID 90812030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).