5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione

C12H10N2O3 — CID 89063839

IUPAC5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=C/C=C/C2=CC=CC2)C(=O)N1
InChIInChI=1S/C12H10N2O3/c15-10-9(11(16)14-12(17)13-10)7-3-6-8-4-1-2-5-8/h1-4,6-7H,5H2,(H2,13,14,15,16,17)/b6-3+
InChIKeyLCJDIXIXNUOYED-ZZXKWVIFSA-N
MW230.22 g/mol
LogP0.72
Rot. Bonds2

About 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione

5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 89063839) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID89063839
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=C/C=C/C2=CC=CC2)C(=O)N1
InChIInChI=1S/C12H10N2O3/c15-10-9(11(16)14-12(17)13-10)7-3-6-8-4-1-2-5-8/h1-4,6-7H,5H2,(H2,13,14,15,16,17)/b6-3+
InChIKeyLCJDIXIXNUOYED-ZZXKWVIFSA-N
XLogP0.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
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 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 89063839) is 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=C/C=C/C2=CC=CC2)C(=O)N1.
What is the InChIKey of 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is LCJDIXIXNUOYED-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-9(11(16)14-12(17)13-10)7-3-6-8-4-1-2-5-8/h1-4,6-7H,5H2,(H2,13,14,15,16,17)/b6-3+.
What are the key properties of 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione?
5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 230.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 89063839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).