(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione

C17H12N2O3 — CID 5409509

IUPAC(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1
InChIInChI=1S/C17H12N2O3/c20-15-14(11-12-7-3-1-4-8-12)16(21)19(17(22)18-15)13-9-5-2-6-10-13/h1-11H,(H,18,20,22)/b14-11+
InChIKeyZSWFJWXHZHNSHE-SDNWHVSQSA-N
MW292.29 g/mol
LogP2.35
Rot. Bonds2

About (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione

(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 5409509) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID5409509
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1
InChIInChI=1S/C17H12N2O3/c20-15-14(11-12-7-3-1-4-8-12)16(21)19(17(22)18-15)13-9-5-2-6-10-13/h1-11H,(H,18,20,22)/b14-11+
InChIKeyZSWFJWXHZHNSHE-SDNWHVSQSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.35
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione (CID 5409509) is (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZSWFJWXHZHNSHE-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-15-14(11-12-7-3-1-4-8-12)16(21)19(17(22)18-15)13-9-5-2-6-10-13/h1-11H,(H,18,20,22)/b14-11+.
What are the key properties of (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione?
(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 292.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5409509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).