5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one

C9H12N2O — CID 90958239

IUPAC5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one
SMILESC=CCc1cc(CC)c(=O)[nH]n1
InChIInChI=1S/C9H12N2O/c1-3-5-8-6-7(4-2)9(12)11-10-8/h3,6H,1,4-5H2,2H3,(H,11,12)
InChIKeyVRYWJCMJPCBDEW-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.06
Rot. Bonds3

About 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one

5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one (PubChem CID 90958239) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one
PubChem CID90958239
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one
SMILESC=CCc1cc(CC)c(=O)[nH]n1
InChIInChI=1S/C9H12N2O/c1-3-5-8-6-7(4-2)9(12)11-10-8/h3,6H,1,4-5H2,2H3,(H,11,12)
InChIKeyVRYWJCMJPCBDEW-UHFFFAOYSA-N
XLogP1.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-isopropylidene-3-methyl-1H-pyrazol-5-one
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(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-methyl-1H-pyrazol-5-one
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Benzodiazocinone
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5-ethyl-3-methyl-1H-pyridazin-6-one
CID 54103257
3-tert-butyl-5-ethyl-1H-pyridazin-6-one
CID 68097456
Allylpyridazone
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one?
The IUPAC name of 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one (CID 90958239) is 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one?
The canonical SMILES for 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one is C=CCc1cc(CC)c(=O)[nH]n1.
What is the InChIKey of 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one?
The InChIKey is VRYWJCMJPCBDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-5-8-6-7(4-2)9(12)11-10-8/h3,6H,1,4-5H2,2H3,(H,11,12).
What are the key properties of 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one?
5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one has a molecular weight of 164.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one is sourced from PubChem (CID 90958239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).