4-chloro-5-ethenyl-2-methylphthalazin-1-one

C11H9ClN2O — CID 145029171

IUPAC4-chloro-5-ethenyl-2-methylphthalazin-1-one
SMILESC=Cc1cccc2c(=O)n(C)nc(Cl)c12
InChIInChI=1S/C11H9ClN2O/c1-3-7-5-4-6-8-9(7)10(12)13-14(2)11(8)15/h3-6H,1H2,2H3
InChIKeyPIJXLWKBDFICJJ-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.23
Rot. Bonds1

About 4-chloro-5-ethenyl-2-methylphthalazin-1-one

4-chloro-5-ethenyl-2-methylphthalazin-1-one (PubChem CID 145029171) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-5-ethenyl-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-chloro-5-ethenyl-2-methylphthalazin-1-one
PubChem CID145029171
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-5-ethenyl-2-methylphthalazin-1-one
SMILESC=Cc1cccc2c(=O)n(C)nc(Cl)c12
InChIInChI=1S/C11H9ClN2O/c1-3-7-5-4-6-8-9(7)10(12)13-14(2)11(8)15/h3-6H,1H2,2H3
InChIKeyPIJXLWKBDFICJJ-UHFFFAOYSA-N
XLogP2.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethenyl-2-methylphthalazin-1-one?
The IUPAC name of 4-chloro-5-ethenyl-2-methylphthalazin-1-one (CID 145029171) is 4-chloro-5-ethenyl-2-methylphthalazin-1-one.
What is the SMILES notation for 4-chloro-5-ethenyl-2-methylphthalazin-1-one?
The canonical SMILES for 4-chloro-5-ethenyl-2-methylphthalazin-1-one is C=Cc1cccc2c(=O)n(C)nc(Cl)c12.
What is the InChIKey of 4-chloro-5-ethenyl-2-methylphthalazin-1-one?
The InChIKey is PIJXLWKBDFICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-3-7-5-4-6-8-9(7)10(12)13-14(2)11(8)15/h3-6H,1H2,2H3.
What are the key properties of 4-chloro-5-ethenyl-2-methylphthalazin-1-one?
4-chloro-5-ethenyl-2-methylphthalazin-1-one has a molecular weight of 220.66 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethenyl-2-methylphthalazin-1-one is sourced from PubChem (CID 145029171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).