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

C15H14N2O3 — CID 678009

IUPAC1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C15H14N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h3-10H,1-2H3/b9-6+
InChIKeyLPVZBHMLVXKEEV-RMKNXTFCSA-N
MW270.29 g/mol
LogP1.68
Rot. Bonds2

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

1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 678009) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID678009
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C15H14N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h3-10H,1-2H3/b9-6+
InChIKeyLPVZBHMLVXKEEV-RMKNXTFCSA-N
XLogP1.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
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 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 678009) is 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is LPVZBHMLVXKEEV-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h3-10H,1-2H3/b9-6+.
What are the key properties of 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 270.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 678009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).