(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione

C20H16N2O3 — CID 2288294

IUPAC(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/C=C/c1ccccc1
InChIInChI=1S/C20H16N2O3/c23-18-17(13-7-12-15-8-3-1-4-9-15)19(24)22(20(25)21-18)14-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,23,25)/b12-7+,17-13+
InChIKeyRXHBGFUGZMNJRE-LYXWDPSCSA-N
MW332.36 g/mol
LogP2.90
Rot. Bonds4

About (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2288294) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2288294
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/C=C/c1ccccc1
InChIInChI=1S/C20H16N2O3/c23-18-17(13-7-12-15-8-3-1-4-9-15)19(24)22(20(25)21-18)14-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,23,25)/b12-7+,17-13+
InChIKeyRXHBGFUGZMNJRE-LYXWDPSCSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-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 (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 2288294) is (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/C=C/c1ccccc1.
What is the InChIKey of (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is RXHBGFUGZMNJRE-LYXWDPSCSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-18-17(13-7-12-15-8-3-1-4-9-15)19(24)22(20(25)21-18)14-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,23,25)/b12-7+,17-13+.
What are the key properties of (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 332.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-benzyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2288294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).