4-methyl-2-(2-oxopropyl)phthalazin-1-one

C12H12N2O2 — CID 58973560

IUPAC4-methyl-2-(2-oxopropyl)phthalazin-1-one
SMILESCC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H12N2O2/c1-8(15)7-14-12(16)11-6-4-3-5-10(11)9(2)13-14/h3-6H,7H2,1-2H3
InChIKeyBZNGCYLQEMTVJO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.29
Rot. Bonds2

About 4-methyl-2-(2-oxopropyl)phthalazin-1-one

4-methyl-2-(2-oxopropyl)phthalazin-1-one (PubChem CID 58973560) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopropyl)phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-(2-oxopropyl)phthalazin-1-one
PubChem CID58973560
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-methyl-2-(2-oxopropyl)phthalazin-1-one
SMILESCC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H12N2O2/c1-8(15)7-14-12(16)11-6-4-3-5-10(11)9(2)13-14/h3-6H,7H2,1-2H3
InChIKeyBZNGCYLQEMTVJO-UHFFFAOYSA-N
XLogP1.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxopropyl)phthalazin-1-one?
The IUPAC name of 4-methyl-2-(2-oxopropyl)phthalazin-1-one (CID 58973560) is 4-methyl-2-(2-oxopropyl)phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-(2-oxopropyl)phthalazin-1-one?
The canonical SMILES for 4-methyl-2-(2-oxopropyl)phthalazin-1-one is CC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of 4-methyl-2-(2-oxopropyl)phthalazin-1-one?
The InChIKey is BZNGCYLQEMTVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(15)7-14-12(16)11-6-4-3-5-10(11)9(2)13-14/h3-6H,7H2,1-2H3.
What are the key properties of 4-methyl-2-(2-oxopropyl)phthalazin-1-one?
4-methyl-2-(2-oxopropyl)phthalazin-1-one has a molecular weight of 216.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxopropyl)phthalazin-1-one is sourced from PubChem (CID 58973560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).