(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane

C15H26N2O — CID 143672104

IUPAC(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane
SMILESC/C=C\C=c1\c(=O)[nH]nc(C)\c1=C\C.CC.CC
InChIInChI=1S/C11H14N2O.2C2H6/c1-4-6-7-10-9(5-2)8(3)12-13-11(10)14;2*1-2/h4-7H,1-3H3,(H,13,14);2*1-2H3/b6-4-,9-5-,10-7+;;
InChIKeyZZWHVDFQMOZIOS-GAUAAFBKSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds1

About (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane

(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane (PubChem CID 143672104) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane
PubChem CID143672104
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane
SMILESC/C=C\C=c1\c(=O)[nH]nc(C)\c1=C\C.CC.CC
InChIInChI=1S/C11H14N2O.2C2H6/c1-4-6-7-10-9(5-2)8(3)12-13-11(10)14;2*1-2/h4-7H,1-3H3,(H,13,14);2*1-2H3/b6-4-,9-5-,10-7+;;
InChIKeyZZWHVDFQMOZIOS-GAUAAFBKSA-N
XLogP2.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methyl-5-propyl-1H-pyridazin-6-one
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2H-cyclohepta[c]pyrazol-3-one
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(4Z)-3-methyl-4-[(E)-4-methylpent-2-enylidene]-1H-pyrazol-5-one
CID 59887958
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CID 59887976

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane?
The IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane (CID 143672104) is (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane.
What is the SMILES notation for (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane?
The canonical SMILES for (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane is C/C=C\C=c1\c(=O)[nH]nc(C)\c1=C\C.CC.CC.
What is the InChIKey of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane?
The InChIKey is ZZWHVDFQMOZIOS-GAUAAFBKSA-N. The full InChI is InChI=1S/C11H14N2O.2C2H6/c1-4-6-7-10-9(5-2)8(3)12-13-11(10)14;2*1-2/h4-7H,1-3H3,(H,13,14);2*1-2H3/b6-4-,9-5-,10-7+;;.
What are the key properties of (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane?
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane has a molecular weight of 250.39 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane is sourced from PubChem (CID 143672104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).