1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C19H16N2O3 — CID 12937

IUPAC1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H16N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2
InChIKeyCSCJXJYSSKSVQF-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.38
Rot. Bonds4

About 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 12937) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID12937
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H16N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2
InChIKeyCSCJXJYSSKSVQF-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-diphenyl-5-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 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 12937) is 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CSCJXJYSSKSVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2.
What are the key properties of 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 320.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).