5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C11H8N2O4 — CID 5292673

IUPAC5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C11H8N2O4/c14-7-3-1-6(2-4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17)
InChIKeyKSOJQSBHVKAHPC-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.14
Rot. Bonds1

About 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 5292673) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID5292673
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C11H8N2O4/c14-7-3-1-6(2-4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17)
InChIKeyKSOJQSBHVKAHPC-UHFFFAOYSA-N
XLogP0.14
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.14
H-Bond Donors ≤ 53
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 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 5292673) is 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2ccc(O)cc2)C(=O)N1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is KSOJQSBHVKAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-7-3-1-6(2-4-7)5-8-9(15)12-11(17)13-10(8)16/h1-5,14H,(H2,12,13,15,16,17).
What are the key properties of 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 232.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5292673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).