5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione

C10H6N2O4 — CID 57035693

IUPAC5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc3c(O)[nH]c(O)c3cc21
InChIInChI=1S/C10H6N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2,11,13,15H,(H,12,14,16)
InChIKeyIGROENRNSXWEJJ-UHFFFAOYSA-N
MW218.17 g/mol
LogP0.46
Rot. Bonds

About 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione

5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 57035693) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

Compound Name5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione
PubChem CID57035693
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc3c(O)[nH]c(O)c3cc21
InChIInChI=1S/C10H6N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2,11,13,15H,(H,12,14,16)
InChIKeyIGROENRNSXWEJJ-UHFFFAOYSA-N
XLogP0.46
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Isoindolo[6,7,1-cde]indole-2,5-diol
CID 494079
1,3-dihydroxy-N-(1,1,1-trifluoropropan-2-ylimino)-2H-isoindole-5-carboxamide
CID 167860411
N'-acetyl-2-methyl-1,3-dioxoisoindole-5-carbohydrazide
CID 2953749
1,3-dihydroxy-2H-isoindole-4-carbaldehyde
CID 53952779
2-Heptyl-5,7-dihydroxy-6-methylpyrrolo[3,4-f]isoindole-1,3-dione
CID 91580347
1,3-dihydroxy-4,5-dioxo-2H-benzo[e]isoindole-8,9-dicarboxamide
CID 136406646
N-(1,3-dihydroxy-5-oxo-2H-benzo[e]isoindol-4-ylidene)acetamide
CID 136440354
6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione
CID 136648471
5,7-Dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione
CID 137452198
2-Imino-6-methyl-1,3-dioxopyrrolo[3,4-f]isoindol-2-ium-5,7-diolate
CID 149261578
CID 163954978
CID 163954978
1,2,3-trihydroxy-N-oxoisoindole-5-carboxamide
CID 167363560

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione?
The IUPAC name of 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione (CID 57035693) is 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione.
What is the SMILES notation for 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione?
The canonical SMILES for 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione is O=C1NC(=O)c2cc3c(O)[nH]c(O)c3cc21.
What is the InChIKey of 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione?
The InChIKey is IGROENRNSXWEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2,11,13,15H,(H,12,14,16).
What are the key properties of 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione?
5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 218.17 g/mol, XLogP of 0.46, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 57035693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).