2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C11H11N3O2 — CID 658785

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(N)=O)c(=O)c2ccccc12
InChIInChI=1S/C11H11N3O2/c1-7-8-4-2-3-5-9(8)11(16)14(13-7)6-10(12)15/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyBCUPRVHLYQSQJU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.19
Rot. Bonds2

About 2-(4-methyl-1-oxophthalazin-2-yl)acetamide

2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 658785) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID658785
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(N)=O)c(=O)c2ccccc12
InChIInChI=1S/C11H11N3O2/c1-7-8-4-2-3-5-9(8)11(16)14(13-7)6-10(12)15/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyBCUPRVHLYQSQJU-UHFFFAOYSA-N
XLogP0.19
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 658785) is 2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(N)=O)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is BCUPRVHLYQSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-8-4-2-3-5-9(8)11(16)14(13-7)6-10(12)15/h2-5H,6H2,1H3,(H2,12,15).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 217.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 658785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).