N-(1,3,4-trioxoisoquinolin-5-yl)acetamide

C11H8N2O4 — CID 11572178

IUPACN-(1,3,4-trioxoisoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(=O)NC2=O
InChIInChI=1S/C11H8N2O4/c1-5(14)12-7-4-2-3-6-8(7)9(15)11(17)13-10(6)16/h2-4H,1H3,(H,12,14)(H,13,16,17)
InChIKeyUUOFVKZXCNHWQA-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.10
Rot. Bonds1

About N-(1,3,4-trioxoisoquinolin-5-yl)acetamide

N-(1,3,4-trioxoisoquinolin-5-yl)acetamide (PubChem CID 11572178) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(1,3,4-trioxoisoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3,4-trioxoisoquinolin-5-yl)acetamide
PubChem CID11572178
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC NameN-(1,3,4-trioxoisoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(=O)NC2=O
InChIInChI=1S/C11H8N2O4/c1-5(14)12-7-4-2-3-6-8(7)9(15)11(17)13-10(6)16/h2-4H,1H3,(H,12,14)(H,13,16,17)
InChIKeyUUOFVKZXCNHWQA-UHFFFAOYSA-N
XLogP0.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dioxo-1H-indol-7-yl)acetamide
CID 131596537
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
N-(6-bromo-7-methyl-5,8-dioxonaphthalen-1-yl)acetamide
CID 70291421
N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
CID 2086901
(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide
CID 142209593
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
CID 25250136
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
N-(3-methyl-4-oxo-2H-indeno[1,2-c]pyrazol-8-yl)acetamide
CID 11096756
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
3-(dimethylsulfamoyl)-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 2379537

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
The IUPAC name of N-(1,3,4-trioxoisoquinolin-5-yl)acetamide (CID 11572178) is N-(1,3,4-trioxoisoquinolin-5-yl)acetamide.
What is the SMILES notation for N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
The canonical SMILES for N-(1,3,4-trioxoisoquinolin-5-yl)acetamide is CC(=O)Nc1cccc2c1C(=O)C(=O)NC2=O.
What is the InChIKey of N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
The InChIKey is UUOFVKZXCNHWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-5(14)12-7-4-2-3-6-8(7)9(15)11(17)13-10(6)16/h2-4H,1H3,(H,12,14)(H,13,16,17).
What are the key properties of N-(1,3,4-trioxoisoquinolin-5-yl)acetamide?
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide has a molecular weight of 232.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-trioxoisoquinolin-5-yl)acetamide is sourced from PubChem (CID 11572178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).