2-methyl-2-azaspiro[5.5]undecane-1,5-dione

C11H17NO2 — CID 54143306

IUPAC2-methyl-2-azaspiro[5.5]undecane-1,5-dione
SMILESCN1CCC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C11H17NO2/c1-12-8-5-9(13)11(10(12)14)6-3-2-4-7-11/h2-8H2,1H3
InChIKeyOCPHWCQUFHUIFS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.37
Rot. Bonds

About 2-methyl-2-azaspiro[5.5]undecane-1,5-dione

2-methyl-2-azaspiro[5.5]undecane-1,5-dione (PubChem CID 54143306) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methyl-2-azaspiro[5.5]undecane-1,5-dione.

Molecular Properties

Compound Name2-methyl-2-azaspiro[5.5]undecane-1,5-dione
PubChem CID54143306
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methyl-2-azaspiro[5.5]undecane-1,5-dione
SMILESCN1CCC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C11H17NO2/c1-12-8-5-9(13)11(10(12)14)6-3-2-4-7-11/h2-8H2,1H3
InChIKeyOCPHWCQUFHUIFS-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azaspiro[5.5]undecane-1,5-dione?
The IUPAC name of 2-methyl-2-azaspiro[5.5]undecane-1,5-dione (CID 54143306) is 2-methyl-2-azaspiro[5.5]undecane-1,5-dione.
What is the SMILES notation for 2-methyl-2-azaspiro[5.5]undecane-1,5-dione?
The canonical SMILES for 2-methyl-2-azaspiro[5.5]undecane-1,5-dione is CN1CCC(=O)C2(CCCCC2)C1=O.
What is the InChIKey of 2-methyl-2-azaspiro[5.5]undecane-1,5-dione?
The InChIKey is OCPHWCQUFHUIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-8-5-9(13)11(10(12)14)6-3-2-4-7-11/h2-8H2,1H3.
What are the key properties of 2-methyl-2-azaspiro[5.5]undecane-1,5-dione?
2-methyl-2-azaspiro[5.5]undecane-1,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azaspiro[5.5]undecane-1,5-dione is sourced from PubChem (CID 54143306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).