N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide

C12H13N3O4 — CID 57151111

IUPACN-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1=CC=C2NC(=O)C(=O)NC2C1
InChIInChI=1S/C12H13N3O4/c1-6(16)15(7(2)17)8-3-4-9-10(5-8)14-12(19)11(18)13-9/h3-4,10H,5H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyRJBXVBNJAAUIFR-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.83
Rot. Bonds1

About N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide

N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide (PubChem CID 57151111) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide
PubChem CID57151111
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1=CC=C2NC(=O)C(=O)NC2C1
InChIInChI=1S/C12H13N3O4/c1-6(16)15(7(2)17)8-3-4-9-10(5-8)14-12(19)11(18)13-9/h3-4,10H,5H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyRJBXVBNJAAUIFR-UHFFFAOYSA-N
XLogP-0.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide?
The IUPAC name of N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide (CID 57151111) is N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide?
The canonical SMILES for N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide is CC(=O)N(C(C)=O)C1=CC=C2NC(=O)C(=O)NC2C1.
What is the InChIKey of N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide?
The InChIKey is RJBXVBNJAAUIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-6(16)15(7(2)17)8-3-4-9-10(5-8)14-12(19)11(18)13-9/h3-4,10H,5H2,1-2H3,(H,13,18)(H,14,19).
What are the key properties of N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide?
N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide has a molecular weight of 263.25 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2,3-dioxo-1,4,4a,5-tetrahydroquinoxalin-6-yl)acetamide is sourced from PubChem (CID 57151111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).