2H-indeno[1,2-c]pyridazine-3,5-dione

C11H6N2O2 — CID 3067299

IUPAC2H-indeno[1,2-c]pyridazine-3,5-dione
SMILESO=C1c2ccccc2-c2n[nH]c(=O)cc21
InChIInChI=1S/C11H6N2O2/c14-9-5-8-10(13-12-9)6-3-1-2-4-7(6)11(8)15/h1-5H,(H,12,14)
InChIKeyLECUEVGPHXYPCK-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.98
Rot. Bonds

About 2H-indeno[1,2-c]pyridazine-3,5-dione

2H-indeno[1,2-c]pyridazine-3,5-dione (PubChem CID 3067299) has the molecular formula C11H6N2O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2H-indeno[1,2-c]pyridazine-3,5-dione.

Molecular Properties

Compound Name2H-indeno[1,2-c]pyridazine-3,5-dione
PubChem CID3067299
Molecular FormulaC11H6N2O2
Molecular Weight198.18 g/mol
Exact Mass198.04
IUPAC Name2H-indeno[1,2-c]pyridazine-3,5-dione
SMILESO=C1c2ccccc2-c2n[nH]c(=O)cc21
InChIInChI=1S/C11H6N2O2/c14-9-5-8-10(13-12-9)6-3-1-2-4-7(6)11(8)15/h1-5H,(H,12,14)
InChIKeyLECUEVGPHXYPCK-UHFFFAOYSA-N
XLogP0.98
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-indeno[1,2-c]pyridazine-3,5-dione?
The IUPAC name of 2H-indeno[1,2-c]pyridazine-3,5-dione (CID 3067299) is 2H-indeno[1,2-c]pyridazine-3,5-dione.
What is the SMILES notation for 2H-indeno[1,2-c]pyridazine-3,5-dione?
The canonical SMILES for 2H-indeno[1,2-c]pyridazine-3,5-dione is O=C1c2ccccc2-c2n[nH]c(=O)cc21.
What is the InChIKey of 2H-indeno[1,2-c]pyridazine-3,5-dione?
The InChIKey is LECUEVGPHXYPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2/c14-9-5-8-10(13-12-9)6-3-1-2-4-7(6)11(8)15/h1-5H,(H,12,14).
What are the key properties of 2H-indeno[1,2-c]pyridazine-3,5-dione?
2H-indeno[1,2-c]pyridazine-3,5-dione has a molecular weight of 198.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indeno[1,2-c]pyridazine-3,5-dione is sourced from PubChem (CID 3067299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).