3-azaspiro[5.6]dodecane-2,4-dione

C11H17NO2 — CID 46911960

IUPAC3-azaspiro[5.6]dodecane-2,4-dione
SMILESO=C1CC2(CCCCCC2)CC(=O)N1
InChIInChI=1S/C11H17NO2/c13-9-7-11(8-10(14)12-9)5-3-1-2-4-6-11/h1-8H2,(H,12,13,14)
InChIKeyTYAICTUSXVUMNX-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.76
Rot. Bonds

About 3-azaspiro[5.6]dodecane-2,4-dione

3-azaspiro[5.6]dodecane-2,4-dione (PubChem CID 46911960) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-azaspiro[5.6]dodecane-2,4-dione.

Molecular Properties

Compound Name3-azaspiro[5.6]dodecane-2,4-dione
PubChem CID46911960
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-azaspiro[5.6]dodecane-2,4-dione
SMILESO=C1CC2(CCCCCC2)CC(=O)N1
InChIInChI=1S/C11H17NO2/c13-9-7-11(8-10(14)12-9)5-3-1-2-4-6-11/h1-8H2,(H,12,13,14)
InChIKeyTYAICTUSXVUMNX-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.6]dodecane-2,4-dione?
The IUPAC name of 3-azaspiro[5.6]dodecane-2,4-dione (CID 46911960) is 3-azaspiro[5.6]dodecane-2,4-dione.
What is the SMILES notation for 3-azaspiro[5.6]dodecane-2,4-dione?
The canonical SMILES for 3-azaspiro[5.6]dodecane-2,4-dione is O=C1CC2(CCCCCC2)CC(=O)N1.
What is the InChIKey of 3-azaspiro[5.6]dodecane-2,4-dione?
The InChIKey is TYAICTUSXVUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-9-7-11(8-10(14)12-9)5-3-1-2-4-6-11/h1-8H2,(H,12,13,14).
What are the key properties of 3-azaspiro[5.6]dodecane-2,4-dione?
3-azaspiro[5.6]dodecane-2,4-dione has a molecular weight of 195.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.6]dodecane-2,4-dione is sourced from PubChem (CID 46911960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).