3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione

C11H17NO2 — CID 119092959

IUPAC3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCC1CCC2(CC(=O)N(C)C(=O)C2)C1
InChIInChI=1S/C11H17NO2/c1-8-3-4-11(5-8)6-9(13)12(2)10(14)7-11/h8H,3-7H2,1-2H3
InChIKeyAFLDFSBLELBNNR-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.57
Rot. Bonds

About 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione

3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 119092959) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
PubChem CID119092959
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCC1CCC2(CC(=O)N(C)C(=O)C2)C1
InChIInChI=1S/C11H17NO2/c1-8-3-4-11(5-8)6-9(13)12(2)10(14)7-11/h8H,3-7H2,1-2H3
InChIKeyAFLDFSBLELBNNR-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-8-[3-(dimethylamino)propyl]-3-methyl-8-azaspiro[4.5]decane-7,9-dione
CID 125495895
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one
CID 163396323
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
2,7-dimethylspiro[3.4]octane
CID 142902956
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489566
ethane;3-methylspiro[4.4]nonane
CID 168995417
(3R)-3-methylspiro[4.5]decane
CID 140778087
8-amino-2-methyl-2-azaspiro[4.5]decan-3-one
CID 121206941
3-iodo-8-methylspiro[4.4]nonane
CID 154690645
3,9-dimethylspiro[5.5]undecane
CID 20825106

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione (CID 119092959) is 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione is CC1CCC2(CC(=O)N(C)C(=O)C2)C1.
What is the InChIKey of 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is AFLDFSBLELBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-3-4-11(5-8)6-9(13)12(2)10(14)7-11/h8H,3-7H2,1-2H3.
What are the key properties of 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione?
3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 195.26 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 119092959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).