1,7-dioxa-4,10-diazacyclododecane-3,11-dione

C8H14N2O4 — CID 14793294

IUPAC1,7-dioxa-4,10-diazacyclododecane-3,11-dione
SMILESO=C1COCC(=O)NCCOCCN1
InChIInChI=1S/C8H14N2O4/c11-7-5-14-6-8(12)10-2-4-13-3-1-9-7/h1-6H2,(H,9,11)(H,10,12)
InChIKeyXEURKMXZTFELEI-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.73
Rot. Bonds

About 1,7-dioxa-4,10-diazacyclododecane-3,11-dione

1,7-dioxa-4,10-diazacyclododecane-3,11-dione (PubChem CID 14793294) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1,7-dioxa-4,10-diazacyclododecane-3,11-dione.

Molecular Properties

Compound Name1,7-dioxa-4,10-diazacyclododecane-3,11-dione
PubChem CID14793294
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name1,7-dioxa-4,10-diazacyclododecane-3,11-dione
SMILESO=C1COCC(=O)NCCOCCN1
InChIInChI=1S/C8H14N2O4/c11-7-5-14-6-8(12)10-2-4-13-3-1-9-7/h1-6H2,(H,9,11)(H,10,12)
InChIKeyXEURKMXZTFELEI-UHFFFAOYSA-N
XLogP-1.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-dioxa-4,10-diazacyclododecane-3,11-dione?
The IUPAC name of 1,7-dioxa-4,10-diazacyclododecane-3,11-dione (CID 14793294) is 1,7-dioxa-4,10-diazacyclododecane-3,11-dione.
What is the SMILES notation for 1,7-dioxa-4,10-diazacyclododecane-3,11-dione?
The canonical SMILES for 1,7-dioxa-4,10-diazacyclododecane-3,11-dione is O=C1COCC(=O)NCCOCCN1.
What is the InChIKey of 1,7-dioxa-4,10-diazacyclododecane-3,11-dione?
The InChIKey is XEURKMXZTFELEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-7-5-14-6-8(12)10-2-4-13-3-1-9-7/h1-6H2,(H,9,11)(H,10,12).
What are the key properties of 1,7-dioxa-4,10-diazacyclododecane-3,11-dione?
1,7-dioxa-4,10-diazacyclododecane-3,11-dione has a molecular weight of 202.21 g/mol, XLogP of -1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxa-4,10-diazacyclododecane-3,11-dione is sourced from PubChem (CID 14793294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).