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

C15H23N3O3 — CID 7506528

IUPAC5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C(C)=N/CCCCCC)C1=O
InChIInChI=1S/C15H23N3O3/c1-4-6-7-8-9-16-11(3)12-13(19)17-15(21)18(10-5-2)14(12)20/h5,12H,2,4,6-10H2,1,3H3,(H,17,19,21)/b16-11+
InChIKeyPRBUDBMIEODTAY-LFIBNONCSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds8

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

5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 7506528) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID7506528
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C(C)=N/CCCCCC)C1=O
InChIInChI=1S/C15H23N3O3/c1-4-6-7-8-9-16-11(3)12-13(19)17-15(21)18(10-5-2)14(12)20/h5,12H,2,4,6-10H2,1,3H3,(H,17,19,21)/b16-11+
InChIKeyPRBUDBMIEODTAY-LFIBNONCSA-N
XLogP1.91
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexyl-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-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 7506528) is 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(/C(C)=N/CCCCCC)C1=O.
What is the InChIKey of 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is PRBUDBMIEODTAY-LFIBNONCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-6-7-8-9-16-11(3)12-13(19)17-15(21)18(10-5-2)14(12)20/h5,12H,2,4,6-10H2,1,3H3,(H,17,19,21)/b16-11+.
What are the key properties of 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 293.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-hexyl-C-methylcarbonimidoyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7506528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).