2-phenacylphthalazin-1-one

C16H12N2O2 — CID 60774188

IUPAC2-phenacylphthalazin-1-one
SMILESO=C(Cn1ncc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15(12-6-2-1-3-7-12)11-18-16(20)14-9-5-4-8-13(14)10-17-18/h1-10H,11H2
InChIKeyPHIVRYXMUGSLGL-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.28
Rot. Bonds3

About 2-phenacylphthalazin-1-one

2-phenacylphthalazin-1-one (PubChem CID 60774188) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-phenacylphthalazin-1-one.

Molecular Properties

Compound Name2-phenacylphthalazin-1-one
PubChem CID60774188
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-phenacylphthalazin-1-one
SMILESO=C(Cn1ncc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15(12-6-2-1-3-7-12)11-18-16(20)14-9-5-4-8-13(14)10-17-18/h1-10H,11H2
InChIKeyPHIVRYXMUGSLGL-UHFFFAOYSA-N
XLogP2.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenacylphthalazin-1-one?
The IUPAC name of 2-phenacylphthalazin-1-one (CID 60774188) is 2-phenacylphthalazin-1-one.
What is the SMILES notation for 2-phenacylphthalazin-1-one?
The canonical SMILES for 2-phenacylphthalazin-1-one is O=C(Cn1ncc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 2-phenacylphthalazin-1-one?
The InChIKey is PHIVRYXMUGSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15(12-6-2-1-3-7-12)11-18-16(20)14-9-5-4-8-13(14)10-17-18/h1-10H,11H2.
What are the key properties of 2-phenacylphthalazin-1-one?
2-phenacylphthalazin-1-one has a molecular weight of 264.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacylphthalazin-1-one is sourced from PubChem (CID 60774188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).