6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione

C13H11NO6 — CID 141212985

IUPAC6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione
SMILESNC12OC(=O)C(O)C(O)C(=O)OC1=Cc1ccccc12
InChIInChI=1S/C13H11NO6/c14-13-7-4-2-1-3-6(7)5-8(13)19-11(17)9(15)10(16)12(18)20-13/h1-5,9-10,15-16H,14H2
InChIKeyWGLIVJHVZHTSBR-UHFFFAOYSA-N
MW277.23 g/mol
LogP-1.03
Rot. Bonds

About 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione

6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione (PubChem CID 141212985) has the molecular formula C13H11NO6 and a molecular weight of 277.23 g/mol. Its IUPAC name is 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione.

Molecular Properties

Compound Name6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione
PubChem CID141212985
Molecular FormulaC13H11NO6
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione
SMILESNC12OC(=O)C(O)C(O)C(=O)OC1=Cc1ccccc12
InChIInChI=1S/C13H11NO6/c14-13-7-4-2-1-3-6(7)5-8(13)19-11(17)9(15)10(16)12(18)20-13/h1-5,9-10,15-16H,14H2
InChIKeyWGLIVJHVZHTSBR-UHFFFAOYSA-N
XLogP-1.03
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione?
The IUPAC name of 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione (CID 141212985) is 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione.
What is the SMILES notation for 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione?
The canonical SMILES for 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione is NC12OC(=O)C(O)C(O)C(=O)OC1=Cc1ccccc12.
What is the InChIKey of 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione?
The InChIKey is WGLIVJHVZHTSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO6/c14-13-7-4-2-1-3-6(7)5-8(13)19-11(17)9(15)10(16)12(18)20-13/h1-5,9-10,15-16H,14H2.
What are the key properties of 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione?
6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione has a molecular weight of 277.23 g/mol, XLogP of -1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-amino-3,4-dihydroxy-3,4-dihydroindeno[1,2-b][1,4]dioxocine-2,5-dione is sourced from PubChem (CID 141212985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).