3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one

C7H7BrN2O — CID 169474976

IUPAC3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one
SMILESO=c1ccc(C=CCBr)n[nH]1
InChIInChI=1S/C7H7BrN2O/c8-5-1-2-6-3-4-7(11)10-9-6/h1-4H,5H2,(H,10,11)
InChIKeyFSWAFKJXZOJLMG-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.18
Rot. Bonds2

About 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one

3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one (PubChem CID 169474976) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one
PubChem CID169474976
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one
SMILESO=c1ccc(C=CCBr)n[nH]1
InChIInChI=1S/C7H7BrN2O/c8-5-1-2-6-3-4-7(11)10-9-6/h1-4H,5H2,(H,10,11)
InChIKeyFSWAFKJXZOJLMG-UHFFFAOYSA-N
XLogP1.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one (CID 169474976) is 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one is O=c1ccc(C=CCBr)n[nH]1.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one?
The InChIKey is FSWAFKJXZOJLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-5-1-2-6-3-4-7(11)10-9-6/h1-4H,5H2,(H,10,11).
What are the key properties of 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one?
3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one has a molecular weight of 215.05 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one is sourced from PubChem (CID 169474976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).