N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide

C8H9N3O4 — CID 23506187

IUPACN-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
SMILESCC(=O)N=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C8H9N3O4/c1-4(12)9-5-6(13)10(2)8(15)11(3)7(5)14/h1-3H3
InChIKeyCQEHDZPSZNCPLF-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.98
Rot. Bonds

About N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide

N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide (PubChem CID 23506187) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
PubChem CID23506187
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
SMILESCC(=O)N=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C8H9N3O4/c1-4(12)9-5-6(13)10(2)8(15)11(3)7(5)14/h1-3H3
InChIKeyCQEHDZPSZNCPLF-UHFFFAOYSA-N
XLogP-0.98
TPSA87.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_sixes(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)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-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
The IUPAC name of N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide (CID 23506187) is N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide is CC(=O)N=C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
The InChIKey is CQEHDZPSZNCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4(12)9-5-6(13)10(2)8(15)11(3)7(5)14/h1-3H3.
What are the key properties of N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide?
N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide has a molecular weight of 211.18 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide is sourced from PubChem (CID 23506187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).