(4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione

C10H14N2O2 — CID 101452359

IUPAC(4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione
SMILESO=C1C/C=C/CNC(=O)C/C=C/CN1
InChIInChI=1S/C10H14N2O2/c13-9-5-1-3-7-11-10(14)6-2-4-8-12-9/h1-4H,5-8H2,(H,11,14)(H,12,13)/b3-1+,4-2+
InChIKeyJOPHXOFCEBXHOH-ZPUQHVIOSA-N
MW194.23 g/mol
LogP0.12
Rot. Bonds

About (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione

(4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione (PubChem CID 101452359) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione.

Molecular Properties

Compound Name(4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione
PubChem CID101452359
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione
SMILESO=C1C/C=C/CNC(=O)C/C=C/CN1
InChIInChI=1S/C10H14N2O2/c13-9-5-1-3-7-11-10(14)6-2-4-8-12-9/h1-4H,5-8H2,(H,11,14)(H,12,13)/b3-1+,4-2+
InChIKeyJOPHXOFCEBXHOH-ZPUQHVIOSA-N
XLogP0.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione?
The IUPAC name of (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione (CID 101452359) is (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione.
What is the SMILES notation for (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione?
The canonical SMILES for (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione is O=C1C/C=C/CNC(=O)C/C=C/CN1.
What is the InChIKey of (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione?
The InChIKey is JOPHXOFCEBXHOH-ZPUQHVIOSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-5-1-3-7-11-10(14)6-2-4-8-12-9/h1-4H,5-8H2,(H,11,14)(H,12,13)/b3-1+,4-2+.
What are the key properties of (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione?
(4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione has a molecular weight of 194.23 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione is sourced from PubChem (CID 101452359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).