1,4-diazacyclododecane-2,3-dione

C10H18N2O2 — CID 54435763

IUPAC1,4-diazacyclododecane-2,3-dione
SMILESO=C1NCCCCCCCCNC1=O
InChIInChI=1S/C10H18N2O2/c13-9-10(14)12-8-6-4-2-1-3-5-7-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyWKPVBLRPHRWJGK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.57
Rot. Bonds

About 1,4-diazacyclododecane-2,3-dione

1,4-diazacyclododecane-2,3-dione (PubChem CID 54435763) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,4-diazacyclododecane-2,3-dione.

Molecular Properties

Compound Name1,4-diazacyclododecane-2,3-dione
PubChem CID54435763
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1,4-diazacyclododecane-2,3-dione
SMILESO=C1NCCCCCCCCNC1=O
InChIInChI=1S/C10H18N2O2/c13-9-10(14)12-8-6-4-2-1-3-5-7-11-9/h1-8H2,(H,11,13)(H,12,14)
InChIKeyWKPVBLRPHRWJGK-UHFFFAOYSA-N
XLogP0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazacyclododecane-2,3-dione?
The IUPAC name of 1,4-diazacyclododecane-2,3-dione (CID 54435763) is 1,4-diazacyclododecane-2,3-dione.
What is the SMILES notation for 1,4-diazacyclododecane-2,3-dione?
The canonical SMILES for 1,4-diazacyclododecane-2,3-dione is O=C1NCCCCCCCCNC1=O.
What is the InChIKey of 1,4-diazacyclododecane-2,3-dione?
The InChIKey is WKPVBLRPHRWJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9-10(14)12-8-6-4-2-1-3-5-7-11-9/h1-8H2,(H,11,13)(H,12,14).
What are the key properties of 1,4-diazacyclododecane-2,3-dione?
1,4-diazacyclododecane-2,3-dione has a molecular weight of 198.27 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazacyclododecane-2,3-dione is sourced from PubChem (CID 54435763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).