(5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one

C10H14N2O — CID 142215025

IUPAC(5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one
SMILESCC/C=C\C=C1/CC(C)=NNC1=O
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-9-7-8(2)11-12-10(9)13/h4-6H,3,7H2,1-2H3,(H,12,13)/b5-4-,9-6+
InChIKeyFLRSTEDGGAEQBX-KMOPYBJPSA-N
MW178.23 g/mol
LogP1.77
Rot. Bonds2

About (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one

(5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one (PubChem CID 142215025) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one
PubChem CID142215025
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one
SMILESCC/C=C\C=C1/CC(C)=NNC1=O
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-9-7-8(2)11-12-10(9)13/h4-6H,3,7H2,1-2H3,(H,12,13)/b5-4-,9-6+
InChIKeyFLRSTEDGGAEQBX-KMOPYBJPSA-N
XLogP1.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one?
The IUPAC name of (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one (CID 142215025) is (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one.
What is the SMILES notation for (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one?
The canonical SMILES for (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one is CC/C=C\C=C1/CC(C)=NNC1=O.
What is the InChIKey of (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one?
The InChIKey is FLRSTEDGGAEQBX-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-5-6-9-7-8(2)11-12-10(9)13/h4-6H,3,7H2,1-2H3,(H,12,13)/b5-4-,9-6+.
What are the key properties of (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one?
(5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one has a molecular weight of 178.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one is sourced from PubChem (CID 142215025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).