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

C14H14N2O4 — CID 2207786

IUPAC5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCCOc1ccccc1C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H14N2O4/c1-2-7-20-11-6-4-3-5-9(11)8-10-12(17)15-14(19)16-13(10)18/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyVFOJJKTULFZCSL-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.22
Rot. Bonds4

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

5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2207786) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2207786
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCCOc1ccccc1C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H14N2O4/c1-2-7-20-11-6-4-3-5-9(11)8-10-12(17)15-14(19)16-13(10)18/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyVFOJJKTULFZCSL-UHFFFAOYSA-N
XLogP1.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
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-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2207786) is 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is CCCOc1ccccc1C=C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is VFOJJKTULFZCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-7-20-11-6-4-3-5-9(11)8-10-12(17)15-14(19)16-13(10)18/h3-6,8H,2,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 274.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2207786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).