5-propanoyl-1,3-diazinane-2,4,6-trione

C7H8N2O4 — CID 593426

IUPAC5-propanoyl-1,3-diazinane-2,4,6-trione
SMILESCCC(=O)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h4H,2H2,1H3,(H2,8,9,11,12,13)
InChIKeyCTIWGHPXPYZPRU-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.05
Rot. Bonds2

About 5-propanoyl-1,3-diazinane-2,4,6-trione

5-propanoyl-1,3-diazinane-2,4,6-trione (PubChem CID 593426) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-propanoyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-propanoyl-1,3-diazinane-2,4,6-trione
PubChem CID593426
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name5-propanoyl-1,3-diazinane-2,4,6-trione
SMILESCCC(=O)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h4H,2H2,1H3,(H2,8,9,11,12,13)
InChIKeyCTIWGHPXPYZPRU-UHFFFAOYSA-N
XLogP-1.05
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-propanoyl-1,3-diazinane-2,4,6-trione 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 5-propanoyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-propanoyl-1,3-diazinane-2,4,6-trione (CID 593426) is 5-propanoyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-propanoyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-propanoyl-1,3-diazinane-2,4,6-trione is CCC(=O)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-propanoyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CTIWGHPXPYZPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h4H,2H2,1H3,(H2,8,9,11,12,13).
What are the key properties of 5-propanoyl-1,3-diazinane-2,4,6-trione?
5-propanoyl-1,3-diazinane-2,4,6-trione has a molecular weight of 184.15 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 593426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).