(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one

C11H19NO — CID 163396323

IUPAC(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one
SMILESC[C@@H]1CCC[C@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C11H19NO/c1-9-4-3-5-11(6-9)7-10(13)12(2)8-11/h9H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyRSZBLGLCIWYLIQ-MWLCHTKSSA-N
MW181.28 g/mol
LogP2.05
Rot. Bonds

About (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one

(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one (PubChem CID 163396323) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one
PubChem CID163396323
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one
SMILESC[C@@H]1CCC[C@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C11H19NO/c1-9-4-3-5-11(6-9)7-10(13)12(2)8-11/h9H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyRSZBLGLCIWYLIQ-MWLCHTKSSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
CID 119092959
(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489566
8-amino-2-methyl-2-azaspiro[4.5]decan-3-one
CID 121206941
6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664276
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen
CID 163396322
(3R)-8-[3-(dimethylamino)propyl]-3-methyl-8-azaspiro[4.5]decane-7,9-dione
CID 125495895
2,8-dimethyl-2,8-diazaspiro[4.5]decan-3-one;2,7-dimethyl-2,7-diazaspiro[3.5]nonan-3-one
CID 160674259
7-hydroxy-8-methyl-8-azaspiro[4.5]decan-9-one
CID 54537516
3-cyclohexyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489474
1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
CID 79695262
ethane;3-methylspiro[4.4]nonane
CID 168995417
(3R)-3-methylspiro[4.5]decane
CID 140778087

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one (CID 163396323) is (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one is C[C@@H]1CCC[C@]2(CC(=O)N(C)C2)C1.
What is the InChIKey of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is RSZBLGLCIWYLIQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-4-3-5-11(6-9)7-10(13)12(2)8-11/h9H,3-8H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one?
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 163396323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).