(4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione

C11H17NO2 — CID 15317462

IUPAC(4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC[C@@H]1CN(C)C(=O)[C@]12CCCCC2=O
InChIInChI=1S/C11H17NO2/c1-8-7-12(2)10(14)11(8)6-4-3-5-9(11)13/h8H,3-7H2,1-2H3/t8-,11-/m1/s1
InChIKeyPATVEWIYXNYSLU-LDYMZIIASA-N
MW195.26 g/mol
LogP1.22
Rot. Bonds

About (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione

(4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione (PubChem CID 15317462) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione.

Molecular Properties

Compound Name(4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione
PubChem CID15317462
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC[C@@H]1CN(C)C(=O)[C@]12CCCCC2=O
InChIInChI=1S/C11H17NO2/c1-8-7-12(2)10(14)11(8)6-4-3-5-9(11)13/h8H,3-7H2,1-2H3/t8-,11-/m1/s1
InChIKeyPATVEWIYXNYSLU-LDYMZIIASA-N
XLogP1.22
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 ≤ 51.22
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 (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione?
The IUPAC name of (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione (CID 15317462) is (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione.
What is the SMILES notation for (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione?
The canonical SMILES for (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione is C[C@@H]1CN(C)C(=O)[C@]12CCCCC2=O.
What is the InChIKey of (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione?
The InChIKey is PATVEWIYXNYSLU-LDYMZIIASA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-7-12(2)10(14)11(8)6-4-3-5-9(11)13/h8H,3-7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione?
(4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione has a molecular weight of 195.26 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,4-dimethyl-2-azaspiro[4.5]decane-1,6-dione is sourced from PubChem (CID 15317462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).