3-azaspiro[5.5]undecane-4,9-dione

C10H15NO2 — CID 178016231

IUPAC3-azaspiro[5.5]undecane-4,9-dione
SMILESO=C1CCC2(CCNC(=O)C2)CC1
InChIInChI=1S/C10H15NO2/c12-8-1-3-10(4-2-8)5-6-11-9(13)7-10/h1-7H2,(H,11,13)
InChIKeyYCIBAOKOWRSKAO-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.03
Rot. Bonds

About 3-azaspiro[5.5]undecane-4,9-dione

3-azaspiro[5.5]undecane-4,9-dione (PubChem CID 178016231) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecane-4,9-dione.

Molecular Properties

Compound Name3-azaspiro[5.5]undecane-4,9-dione
PubChem CID178016231
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-azaspiro[5.5]undecane-4,9-dione
SMILESO=C1CCC2(CCNC(=O)C2)CC1
InChIInChI=1S/C10H15NO2/c12-8-1-3-10(4-2-8)5-6-11-9(13)7-10/h1-7H2,(H,11,13)
InChIKeyYCIBAOKOWRSKAO-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-azaspiro[5.5]undecane-4,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-azaspiro[2.5]octan-7-one;ethane
CID 144760089
3,9-diazaspiro[5.6]dodecan-10-one
CID 52644115
spiro[3.5]nonane-2,7-dione
CID 130028978
3-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 135257115
4,4-dimethoxypiperidin-2-one
CID 150731285
2-azaspiro[4.4]nonane-1,8-dione
CID 53493142
3-azaspiro[5.5]undecan-10-one
CID 59929925
5-azaspiro[2.4]heptan-6-one;molecular hydrogen
CID 171823413
2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
CID 118385513
(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 97010257
1,4,9,12-tetrazacyclohexadecane-5,8,13,16-tetrone
CID 12581071
cyclopentanone;piperidin-2-one
CID 67858495

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecane-4,9-dione?
The IUPAC name of 3-azaspiro[5.5]undecane-4,9-dione (CID 178016231) is 3-azaspiro[5.5]undecane-4,9-dione.
What is the SMILES notation for 3-azaspiro[5.5]undecane-4,9-dione?
The canonical SMILES for 3-azaspiro[5.5]undecane-4,9-dione is O=C1CCC2(CCNC(=O)C2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecane-4,9-dione?
The InChIKey is YCIBAOKOWRSKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-8-1-3-10(4-2-8)5-6-11-9(13)7-10/h1-7H2,(H,11,13).
What are the key properties of 3-azaspiro[5.5]undecane-4,9-dione?
3-azaspiro[5.5]undecane-4,9-dione has a molecular weight of 181.23 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecane-4,9-dione is sourced from PubChem (CID 178016231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).