1,5-dihydro-1,5-diazocine-2,6-dione

C6H6N2O2 — CID 71376185

IUPAC1,5-dihydro-1,5-diazocine-2,6-dione
SMILESO=C1C=CNC(=O)C=CN1
InChIInChI=1S/C6H6N2O2/c9-5-1-3-7-6(10)2-4-8-5/h1-4H,(H,7,10)(H,8,9)
InChIKeyPNOZCJLGKWLDSL-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.74
Rot. Bonds

About 1,5-dihydro-1,5-diazocine-2,6-dione

1,5-dihydro-1,5-diazocine-2,6-dione (PubChem CID 71376185) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,5-dihydro-1,5-diazocine-2,6-dione.

Molecular Properties

Compound Name1,5-dihydro-1,5-diazocine-2,6-dione
PubChem CID71376185
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name1,5-dihydro-1,5-diazocine-2,6-dione
SMILESO=C1C=CNC(=O)C=CN1
InChIInChI=1S/C6H6N2O2/c9-5-1-3-7-6(10)2-4-8-5/h1-4H,(H,7,10)(H,8,9)
InChIKeyPNOZCJLGKWLDSL-UHFFFAOYSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,5-dihydro-1,5-diazocine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydro-1,5-diazocine-2,6-dione?
The IUPAC name of 1,5-dihydro-1,5-diazocine-2,6-dione (CID 71376185) is 1,5-dihydro-1,5-diazocine-2,6-dione.
What is the SMILES notation for 1,5-dihydro-1,5-diazocine-2,6-dione?
The canonical SMILES for 1,5-dihydro-1,5-diazocine-2,6-dione is O=C1C=CNC(=O)C=CN1.
What is the InChIKey of 1,5-dihydro-1,5-diazocine-2,6-dione?
The InChIKey is PNOZCJLGKWLDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-5-1-3-7-6(10)2-4-8-5/h1-4H,(H,7,10)(H,8,9).
What are the key properties of 1,5-dihydro-1,5-diazocine-2,6-dione?
1,5-dihydro-1,5-diazocine-2,6-dione has a molecular weight of 138.13 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydro-1,5-diazocine-2,6-dione is sourced from PubChem (CID 71376185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).