4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane

C11H15ClN2O — CID 167522943

IUPAC4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane
SMILESC=Cc1c(C(=C)Cl)c(C)n[nH]c1=O.CC
InChIInChI=1S/C9H9ClN2O.C2H6/c1-4-7-8(5(2)10)6(3)11-12-9(7)13;1-2/h4H,1-2H2,3H3,(H,12,13);1-2H3
InChIKeyGIGJWTRXZQLMOV-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.96
Rot. Bonds2

About 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane

4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane (PubChem CID 167522943) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane.

Molecular Properties

Compound Name4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane
PubChem CID167522943
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane
SMILESC=Cc1c(C(=C)Cl)c(C)n[nH]c1=O.CC
InChIInChI=1S/C9H9ClN2O.C2H6/c1-4-7-8(5(2)10)6(3)11-12-9(7)13;1-2/h4H,1-2H2,3H3,(H,12,13);1-2H3
InChIKeyGIGJWTRXZQLMOV-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane?
The IUPAC name of 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane (CID 167522943) is 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane.
What is the SMILES notation for 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane?
The canonical SMILES for 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane is C=Cc1c(C(=C)Cl)c(C)n[nH]c1=O.CC.
What is the InChIKey of 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane?
The InChIKey is GIGJWTRXZQLMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O.C2H6/c1-4-7-8(5(2)10)6(3)11-12-9(7)13;1-2/h4H,1-2H2,3H3,(H,12,13);1-2H3.
What are the key properties of 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane?
4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane has a molecular weight of 226.71 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethenyl)-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane is sourced from PubChem (CID 167522943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).