2,6-diethyl-4-prop-2-enylpyridazin-3-one

C11H16N2O — CID 91599742

IUPAC2,6-diethyl-4-prop-2-enylpyridazin-3-one
SMILESC=CCc1cc(CC)nn(CC)c1=O
InChIInChI=1S/C11H16N2O/c1-4-7-9-8-10(5-2)12-13(6-3)11(9)14/h4,8H,1,5-7H2,2-3H3
InChIKeyKTDVAFKOTVJIRY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.55
Rot. Bonds4

About 2,6-diethyl-4-prop-2-enylpyridazin-3-one

2,6-diethyl-4-prop-2-enylpyridazin-3-one (PubChem CID 91599742) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,6-diethyl-4-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name2,6-diethyl-4-prop-2-enylpyridazin-3-one
PubChem CID91599742
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2,6-diethyl-4-prop-2-enylpyridazin-3-one
SMILESC=CCc1cc(CC)nn(CC)c1=O
InChIInChI=1S/C11H16N2O/c1-4-7-9-8-10(5-2)12-13(6-3)11(9)14/h4,8H,1,5-7H2,2-3H3
InChIKeyKTDVAFKOTVJIRY-UHFFFAOYSA-N
XLogP1.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 52564125
6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
4-Methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one
CID 162611344
6-Methyl-2-propylpyridazin-3-one
CID 12504076
2-Butyl-6-methylpyridazin-3-one
CID 12758398
4-Cyclohexa-2,5-dien-1-ylidene-5-methyl-2-propan-2-ylpyrazol-3-one
CID 23534330
6-Tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
4,5,6-Trimethyl-2-propan-2-ylpyridazin-3-one
CID 58962214
4-Ethyl-2,6-dimethylpyridazin-3-one
CID 59120442
6-Tert-butyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 59802747

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-prop-2-enylpyridazin-3-one?
The IUPAC name of 2,6-diethyl-4-prop-2-enylpyridazin-3-one (CID 91599742) is 2,6-diethyl-4-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 2,6-diethyl-4-prop-2-enylpyridazin-3-one?
The canonical SMILES for 2,6-diethyl-4-prop-2-enylpyridazin-3-one is C=CCc1cc(CC)nn(CC)c1=O.
What is the InChIKey of 2,6-diethyl-4-prop-2-enylpyridazin-3-one?
The InChIKey is KTDVAFKOTVJIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-7-9-8-10(5-2)12-13(6-3)11(9)14/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2,6-diethyl-4-prop-2-enylpyridazin-3-one?
2,6-diethyl-4-prop-2-enylpyridazin-3-one has a molecular weight of 192.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 91599742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).