5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C12H15N3O3 — CID 7462001

IUPAC5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C(C)=N/C2CC2)C1=O
InChIInChI=1S/C12H15N3O3/c1-3-6-15-11(17)9(10(16)14-12(15)18)7(2)13-8-4-5-8/h3,8-9H,1,4-6H2,2H3,(H,14,16,18)/b13-7+
InChIKeyHJBREEYTWDBWPI-NTUHNPAUSA-N
MW249.27 g/mol
LogP0.49
Rot. Bonds4

About 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 7462001) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID7462001
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C(C)=N/C2CC2)C1=O
InChIInChI=1S/C12H15N3O3/c1-3-6-15-11(17)9(10(16)14-12(15)18)7(2)13-8-4-5-8/h3,8-9H,1,4-6H2,2H3,(H,14,16,18)/b13-7+
InChIKeyHJBREEYTWDBWPI-NTUHNPAUSA-N
XLogP0.49
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-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-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 7462001) is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(/C(C)=N/C2CC2)C1=O.
What is the InChIKey of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is HJBREEYTWDBWPI-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-6-15-11(17)9(10(16)14-12(15)18)7(2)13-8-4-5-8/h3,8-9H,1,4-6H2,2H3,(H,14,16,18)/b13-7+.
What are the key properties of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 249.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7462001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).