5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione

C12H10N2O4 — CID 137452198

IUPAC5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione
SMILESCN1C(=O)c2cc3c(O)n(C)c(O)c3cc2C1=O
InChIInChI=1S/C12H10N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-4,15-16H,1-2H3
InChIKeyJZRQDJOGELLNNW-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.82
Rot. Bonds

About 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione

5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 137452198) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

Compound Name5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione
PubChem CID137452198
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione
SMILESCN1C(=O)c2cc3c(O)n(C)c(O)c3cc2C1=O
InChIInChI=1S/C12H10N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-4,15-16H,1-2H3
InChIKeyJZRQDJOGELLNNW-UHFFFAOYSA-N
XLogP0.82
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione?
The IUPAC name of 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione (CID 137452198) is 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione.
What is the SMILES notation for 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione?
The canonical SMILES for 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione is CN1C(=O)c2cc3c(O)n(C)c(O)c3cc2C1=O.
What is the InChIKey of 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione?
The InChIKey is JZRQDJOGELLNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-4,15-16H,1-2H3.
What are the key properties of 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione?
5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 246.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 137452198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).