4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane

C14H14Cl2N2O — CID 159945341

IUPAC4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane
SMILESCC.O=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1
InChIInChI=1S/C12H8Cl2N2O.C2H6/c13-10-8-15-16(12(17)11(10)14)7-6-9-4-2-1-3-5-9;1-2/h1-8H;1-2H3/b7-6+;
InChIKeyOBKHEFWGQHHOKL-UHDJGPCESA-N
MW297.19 g/mol
LogP4.20
Rot. Bonds2

About 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane

4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane (PubChem CID 159945341) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane.

Molecular Properties

Compound Name4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane
PubChem CID159945341
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane
SMILESCC.O=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1
InChIInChI=1S/C12H8Cl2N2O.C2H6/c13-10-8-15-16(12(17)11(10)14)7-6-9-4-2-1-3-5-9;1-2/h1-8H;1-2H3/b7-6+;
InChIKeyOBKHEFWGQHHOKL-UHDJGPCESA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane?
The IUPAC name of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane (CID 159945341) is 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane.
What is the SMILES notation for 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane?
The canonical SMILES for 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane is CC.O=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1.
What is the InChIKey of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane?
The InChIKey is OBKHEFWGQHHOKL-UHDJGPCESA-N. The full InChI is InChI=1S/C12H8Cl2N2O.C2H6/c13-10-8-15-16(12(17)11(10)14)7-6-9-4-2-1-3-5-9;1-2/h1-8H;1-2H3/b7-6+;.
What are the key properties of 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane?
4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane has a molecular weight of 297.19 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane is sourced from PubChem (CID 159945341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).