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

C14H8N2O5 — CID 2186033

IUPAC5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2coc3ccccc3c2=O)C(=O)N1
InChIInChI=1S/C14H8N2O5/c17-11-7(6-21-10-4-2-1-3-8(10)11)5-9-12(18)15-14(20)16-13(9)19/h1-6H,(H2,15,16,18,19,20)
InChIKeyYBKLVWLMXZLCTP-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.54
Rot. Bonds1

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

5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2186033) has the molecular formula C14H8N2O5 and a molecular weight of 284.23 g/mol. Its IUPAC name is 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2186033
Molecular FormulaC14H8N2O5
Molecular Weight284.23 g/mol
Exact Mass284.04
IUPAC Name5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2coc3ccccc3c2=O)C(=O)N1
InChIInChI=1S/C14H8N2O5/c17-11-7(6-21-10-4-2-1-3-8(10)11)5-9-12(18)15-14(20)16-13(9)19/h1-6H,(H2,15,16,18,19,20)
InChIKeyYBKLVWLMXZLCTP-UHFFFAOYSA-N
XLogP0.54
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2186033) is 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2coc3ccccc3c2=O)C(=O)N1.
What is the InChIKey of 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is YBKLVWLMXZLCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O5/c17-11-7(6-21-10-4-2-1-3-8(10)11)5-9-12(18)15-14(20)16-13(9)19/h1-6H,(H2,15,16,18,19,20).
What are the key properties of 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 284.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2186033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).