7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

C11H9BrN2O — CID 3052617

IUPAC7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESO=C1CC2Cc3cc(Br)ccc3C2=NN1
InChIInChI=1S/C11H9BrN2O/c12-8-1-2-9-6(4-8)3-7-5-10(15)13-14-11(7)9/h1-2,4,7H,3,5H2,(H,13,15)
InChIKeyMKQPFZZZTNSYGI-UHFFFAOYSA-N
MW265.11 g/mol
LogP1.85
Rot. Bonds

About 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (PubChem CID 3052617) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.

Molecular Properties

Compound Name7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
PubChem CID3052617
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESO=C1CC2Cc3cc(Br)ccc3C2=NN1
InChIInChI=1S/C11H9BrN2O/c12-8-1-2-9-6(4-8)3-7-5-10(15)13-14-11(7)9/h1-2,4,7H,3,5H2,(H,13,15)
InChIKeyMKQPFZZZTNSYGI-UHFFFAOYSA-N
XLogP1.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The IUPAC name of 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (CID 3052617) is 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.
What is the SMILES notation for 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The canonical SMILES for 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is O=C1CC2Cc3cc(Br)ccc3C2=NN1.
What is the InChIKey of 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The InChIKey is MKQPFZZZTNSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-8-1-2-9-6(4-8)3-7-5-10(15)13-14-11(7)9/h1-2,4,7H,3,5H2,(H,13,15).
What are the key properties of 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one has a molecular weight of 265.11 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is sourced from PubChem (CID 3052617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).