3-[(E)-prop-1-enyl]-1H-pyridazin-6-one

C7H8N2O — CID 175631366

IUPAC3-[(E)-prop-1-enyl]-1H-pyridazin-6-one
SMILESC/C=C/c1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N2O/c1-2-3-6-4-5-7(10)9-8-6/h2-5H,1H3,(H,9,10)/b3-2+
InChIKeyXAYGKTDURXLXFD-NSCUHMNNSA-N
MW136.15 g/mol
LogP0.80
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one

3-[(E)-prop-1-enyl]-1H-pyridazin-6-one (PubChem CID 175631366) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-1H-pyridazin-6-one
PubChem CID175631366
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-[(E)-prop-1-enyl]-1H-pyridazin-6-one
SMILESC/C=C/c1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N2O/c1-2-3-6-4-5-7(10)9-8-6/h2-5H,1H3,(H,9,10)/b3-2+
InChIKeyXAYGKTDURXLXFD-NSCUHMNNSA-N
XLogP0.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one (CID 175631366) is 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one is C/C=C/c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one?
The InChIKey is XAYGKTDURXLXFD-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-3-6-4-5-7(10)9-8-6/h2-5H,1H3,(H,9,10)/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one?
3-[(E)-prop-1-enyl]-1H-pyridazin-6-one has a molecular weight of 136.15 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-1H-pyridazin-6-one is sourced from PubChem (CID 175631366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).