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

C19H14N2O3 — CID 910773

IUPAC(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-17-16(13-7-10-14-8-3-1-4-9-14)18(23)21(19(24)20-17)15-11-5-2-6-12-15/h1-13H,(H,20,22,24)/b10-7+,16-13-
InChIKeyCOXDMRSXWPMFJU-SBFJKYRKSA-N
MW318.33 g/mol
LogP2.91
Rot. Bonds3

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

(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 910773) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID910773
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-17-16(13-7-10-14-8-3-1-4-9-14)18(23)21(19(24)20-17)15-11-5-2-6-12-15/h1-13H,(H,20,22,24)/b10-7+,16-13-
InChIKeyCOXDMRSXWPMFJU-SBFJKYRKSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.91
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 (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 910773) is (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1.
What is the InChIKey of (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is COXDMRSXWPMFJU-SBFJKYRKSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-17-16(13-7-10-14-8-3-1-4-9-14)18(23)21(19(24)20-17)15-11-5-2-6-12-15/h1-13H,(H,20,22,24)/b10-7+,16-13-.
What are the key properties of (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 318.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 910773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).