4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one

C13H12Cl2N2O — CID 67903355

IUPAC4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC=CC1=CCCC=C1
InChIInChI=1S/C13H12Cl2N2O/c14-11-9-16-17(13(18)12(11)15)8-4-7-10-5-2-1-3-6-10/h2,4-7,9H,1,3,8H2
InChIKeyBQWAAIPLYQNXQL-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.38
Rot. Bonds3

About 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one

4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one (PubChem CID 67903355) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one
PubChem CID67903355
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC=CC1=CCCC=C1
InChIInChI=1S/C13H12Cl2N2O/c14-11-9-16-17(13(18)12(11)15)8-4-7-10-5-2-1-3-6-10/h2,4-7,9H,1,3,8H2
InChIKeyBQWAAIPLYQNXQL-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.38
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-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one (CID 67903355) is 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CC=CC1=CCCC=C1.
What is the InChIKey of 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one?
The InChIKey is BQWAAIPLYQNXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-11-9-16-17(13(18)12(11)15)8-4-7-10-5-2-1-3-6-10/h2,4-7,9H,1,3,8H2.
What are the key properties of 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one?
4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one has a molecular weight of 283.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-cyclohexa-1,5-dien-1-ylprop-2-enyl)pyridazin-3-one is sourced from PubChem (CID 67903355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).