2,9-dihydroindeno[2,1-c]pyridazin-3-one

C11H8N2O — CID 3063372

IUPAC2,9-dihydroindeno[2,1-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)Cc1ccccc1-2
InChIInChI=1S/C11H8N2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)12-13-11/h1-4,6H,5H2,(H,13,14)
InChIKeyRBKCMQDUWRRYJS-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.34
Rot. Bonds

About 2,9-dihydroindeno[2,1-c]pyridazin-3-one

2,9-dihydroindeno[2,1-c]pyridazin-3-one (PubChem CID 3063372) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2,9-dihydroindeno[2,1-c]pyridazin-3-one.

Molecular Properties

Compound Name2,9-dihydroindeno[2,1-c]pyridazin-3-one
PubChem CID3063372
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2,9-dihydroindeno[2,1-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)Cc1ccccc1-2
InChIInChI=1S/C11H8N2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)12-13-11/h1-4,6H,5H2,(H,13,14)
InChIKeyRBKCMQDUWRRYJS-UHFFFAOYSA-N
XLogP1.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dihydroindeno[2,1-c]pyridazin-3-one?
The IUPAC name of 2,9-dihydroindeno[2,1-c]pyridazin-3-one (CID 3063372) is 2,9-dihydroindeno[2,1-c]pyridazin-3-one.
What is the SMILES notation for 2,9-dihydroindeno[2,1-c]pyridazin-3-one?
The canonical SMILES for 2,9-dihydroindeno[2,1-c]pyridazin-3-one is O=c1cc2c(n[nH]1)Cc1ccccc1-2.
What is the InChIKey of 2,9-dihydroindeno[2,1-c]pyridazin-3-one?
The InChIKey is RBKCMQDUWRRYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-6-9-8-4-2-1-3-7(8)5-10(9)12-13-11/h1-4,6H,5H2,(H,13,14).
What are the key properties of 2,9-dihydroindeno[2,1-c]pyridazin-3-one?
2,9-dihydroindeno[2,1-c]pyridazin-3-one has a molecular weight of 184.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydroindeno[2,1-c]pyridazin-3-one is sourced from PubChem (CID 3063372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).