ethene;2-ethyl-6-methylpyridazin-3-one

C9H14N2O — CID 159533733

IUPACethene;2-ethyl-6-methylpyridazin-3-one
SMILESC=C.CCn1nc(C)ccc1=O
InChIInChI=1S/C7H10N2O.C2H4/c1-3-9-7(10)5-4-6(2)8-9;1-2/h4-5H,3H2,1-2H3;1-2H2
InChIKeyMDIDUQVLLVVTAI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.37
Rot. Bonds1

About ethene;2-ethyl-6-methylpyridazin-3-one

ethene;2-ethyl-6-methylpyridazin-3-one (PubChem CID 159533733) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is ethene;2-ethyl-6-methylpyridazin-3-one.

Molecular Properties

Compound Nameethene;2-ethyl-6-methylpyridazin-3-one
PubChem CID159533733
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nameethene;2-ethyl-6-methylpyridazin-3-one
SMILESC=C.CCn1nc(C)ccc1=O
InChIInChI=1S/C7H10N2O.C2H4/c1-3-9-7(10)5-4-6(2)8-9;1-2/h4-5H,3H2,1-2H3;1-2H2
InChIKeyMDIDUQVLLVVTAI-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-ethyl-6-methylpyridazin-3-one?
The IUPAC name of ethene;2-ethyl-6-methylpyridazin-3-one (CID 159533733) is ethene;2-ethyl-6-methylpyridazin-3-one.
What is the SMILES notation for ethene;2-ethyl-6-methylpyridazin-3-one?
The canonical SMILES for ethene;2-ethyl-6-methylpyridazin-3-one is C=C.CCn1nc(C)ccc1=O.
What is the InChIKey of ethene;2-ethyl-6-methylpyridazin-3-one?
The InChIKey is MDIDUQVLLVVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H4/c1-3-9-7(10)5-4-6(2)8-9;1-2/h4-5H,3H2,1-2H3;1-2H2.
What are the key properties of ethene;2-ethyl-6-methylpyridazin-3-one?
ethene;2-ethyl-6-methylpyridazin-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethyl-6-methylpyridazin-3-one is sourced from PubChem (CID 159533733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).