azacyclododecane-2,5-dione

C11H19NO2 — CID 118524921

IUPACazacyclododecane-2,5-dione
SMILESO=C1CCCCCCCNC(=O)CC1
InChIInChI=1S/C11H19NO2/c13-10-6-4-2-1-3-5-9-12-11(14)8-7-10/h1-9H2,(H,12,14)
InChIKeyIXVPWHVSVIJODJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.81
Rot. Bonds

About azacyclododecane-2,5-dione

azacyclododecane-2,5-dione (PubChem CID 118524921) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is azacyclododecane-2,5-dione.

Molecular Properties

Compound Nameazacyclododecane-2,5-dione
PubChem CID118524921
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameazacyclododecane-2,5-dione
SMILESO=C1CCCCCCCNC(=O)CC1
InChIInChI=1S/C11H19NO2/c13-10-6-4-2-1-3-5-9-12-11(14)8-7-10/h1-9H2,(H,12,14)
InChIKeyIXVPWHVSVIJODJ-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azacyclododecane-2,5-dione?
The IUPAC name of azacyclododecane-2,5-dione (CID 118524921) is azacyclododecane-2,5-dione.
What is the SMILES notation for azacyclododecane-2,5-dione?
The canonical SMILES for azacyclododecane-2,5-dione is O=C1CCCCCCCNC(=O)CC1.
What is the InChIKey of azacyclododecane-2,5-dione?
The InChIKey is IXVPWHVSVIJODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10-6-4-2-1-3-5-9-12-11(14)8-7-10/h1-9H2,(H,12,14).
What are the key properties of azacyclododecane-2,5-dione?
azacyclododecane-2,5-dione has a molecular weight of 197.28 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azacyclododecane-2,5-dione is sourced from PubChem (CID 118524921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).