2-diazo-5,6-dimethoxyindene-1,3-dione

C11H8N2O4 — CID 165390276

IUPAC2-diazo-5,6-dimethoxyindene-1,3-dione
SMILESCOc1cc2c(=O)c(=[N+]=[N-])c(=O)c2cc1OC
InChIInChI=1S/C11H8N2O4/c1-16-7-3-5-6(4-8(7)17-2)11(15)9(13-12)10(5)14/h3-4H,1-2H3
InChIKeyNOPHEJNVGLVQOV-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.42
Rot. Bonds2

About 2-diazo-5,6-dimethoxyindene-1,3-dione

2-diazo-5,6-dimethoxyindene-1,3-dione (PubChem CID 165390276) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-diazo-5,6-dimethoxyindene-1,3-dione.

Molecular Properties

Compound Name2-diazo-5,6-dimethoxyindene-1,3-dione
PubChem CID165390276
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name2-diazo-5,6-dimethoxyindene-1,3-dione
SMILESCOc1cc2c(=O)c(=[N+]=[N-])c(=O)c2cc1OC
InChIInChI=1S/C11H8N2O4/c1-16-7-3-5-6(4-8(7)17-2)11(15)9(13-12)10(5)14/h3-4H,1-2H3
InChIKeyNOPHEJNVGLVQOV-UHFFFAOYSA-N
XLogP-0.42
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-5,6-dimethoxyindene-1,3-dione?
The IUPAC name of 2-diazo-5,6-dimethoxyindene-1,3-dione (CID 165390276) is 2-diazo-5,6-dimethoxyindene-1,3-dione.
What is the SMILES notation for 2-diazo-5,6-dimethoxyindene-1,3-dione?
The canonical SMILES for 2-diazo-5,6-dimethoxyindene-1,3-dione is COc1cc2c(=O)c(=[N+]=[N-])c(=O)c2cc1OC.
What is the InChIKey of 2-diazo-5,6-dimethoxyindene-1,3-dione?
The InChIKey is NOPHEJNVGLVQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-16-7-3-5-6(4-8(7)17-2)11(15)9(13-12)10(5)14/h3-4H,1-2H3.
What are the key properties of 2-diazo-5,6-dimethoxyindene-1,3-dione?
2-diazo-5,6-dimethoxyindene-1,3-dione has a molecular weight of 232.19 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-5,6-dimethoxyindene-1,3-dione is sourced from PubChem (CID 165390276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).