4,5-dichloro-2-prop-2-enylpyridazin-3-one

C7H6Cl2N2O — CID 10774590

IUPAC4,5-dichloro-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h2,4H,1,3H2
InChIKeySMFJFRKNBOKQFT-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.74
Rot. Bonds2

About 4,5-dichloro-2-prop-2-enylpyridazin-3-one

4,5-dichloro-2-prop-2-enylpyridazin-3-one (PubChem CID 10774590) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 4,5-dichloro-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-prop-2-enylpyridazin-3-one
PubChem CID10774590
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name4,5-dichloro-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h2,4H,1,3H2
InChIKeySMFJFRKNBOKQFT-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-prop-2-enylpyridazin-3-one (CID 10774590) is 4,5-dichloro-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-prop-2-enylpyridazin-3-one?
The InChIKey is SMFJFRKNBOKQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h2,4H,1,3H2.
What are the key properties of 4,5-dichloro-2-prop-2-enylpyridazin-3-one?
4,5-dichloro-2-prop-2-enylpyridazin-3-one has a molecular weight of 205.04 g/mol, XLogP of 1.74, 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-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 10774590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).