N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide

C10H10N2O4 — CID 539627

IUPACN-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)C(NC(C)=O)=CC1=O
InChIInChI=1S/C10H10N2O4/c1-5(13)11-7-3-10(16)8(4-9(7)15)12-6(2)14/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyTVPORPBYQWXSSX-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.82
Rot. Bonds2

About N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide

N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide (PubChem CID 539627) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
PubChem CID539627
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)C(NC(C)=O)=CC1=O
InChIInChI=1S/C10H10N2O4/c1-5(13)11-7-3-10(16)8(4-9(7)15)12-6(2)14/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyTVPORPBYQWXSSX-UHFFFAOYSA-N
XLogP-0.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The IUPAC name of N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide (CID 539627) is N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The canonical SMILES for N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide is CC(=O)NC1=CC(=O)C(NC(C)=O)=CC1=O.
What is the InChIKey of N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The InChIKey is TVPORPBYQWXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-5(13)11-7-3-10(16)8(4-9(7)15)12-6(2)14/h3-4H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide has a molecular weight of 222.20 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide is sourced from PubChem (CID 539627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).