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

C15H10N2O4 — CID 2201802

IUPAC(5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccoc1
InChIInChI=1S/C15H10N2O4/c18-13-12(8-10-6-7-21-9-10)14(19)17(15(20)16-13)11-4-2-1-3-5-11/h1-9H,(H,16,18,20)/b12-8+
InChIKeyFZEKARQRBCLVKV-XYOKQWHBSA-N
MW282.25 g/mol
LogP1.95
Rot. Bonds2

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

(5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 2201802) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID2201802
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name(5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccoc1
InChIInChI=1S/C15H10N2O4/c18-13-12(8-10-6-7-21-9-10)14(19)17(15(20)16-13)11-4-2-1-3-5-11/h1-9H,(H,16,18,20)/b12-8+
InChIKeyFZEKARQRBCLVKV-XYOKQWHBSA-N
XLogP1.95
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (CID 2201802) is (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccoc1.
What is the InChIKey of (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FZEKARQRBCLVKV-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-12(8-10-6-7-21-9-10)14(19)17(15(20)16-13)11-4-2-1-3-5-11/h1-9H,(H,16,18,20)/b12-8+.
What are the key properties of (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
(5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 282.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2201802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).