5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

C11H12N2O3 — CID 2803013

IUPAC5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CC2CC=CCC2)C(=O)N1
InChIInChI=1S/C11H12N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,12,13,14,15,16)
InChIKeyYQCKBDIUSLPKLF-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.64
Rot. Bonds1

About 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 2803013) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID2803013
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CC2CC=CCC2)C(=O)N1
InChIInChI=1S/C11H12N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,12,13,14,15,16)
InChIKeyYQCKBDIUSLPKLF-UHFFFAOYSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.64
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': 'isolated_alkene', '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-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 2803013) is 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=CC2CC=CCC2)C(=O)N1.
What is the InChIKey of 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is YQCKBDIUSLPKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,12,13,14,15,16).
What are the key properties of 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione?
5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 220.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-3-en-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2803013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).