(4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione

C10H15NO2 — CID 15317456

IUPAC(4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC[C@H]1CN(C)C(=O)[C@]12CCCC2=O
InChIInChI=1S/C10H15NO2/c1-7-6-11(2)9(13)10(7)5-3-4-8(10)12/h7H,3-6H2,1-2H3/t7-,10+/m0/s1
InChIKeyNEDJQDZCFHGPCO-OIBJUYFYSA-N
MW181.23 g/mol
LogP0.83
Rot. Bonds

About (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione

(4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione (PubChem CID 15317456) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione.

Molecular Properties

Compound Name(4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione
PubChem CID15317456
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione
SMILESC[C@H]1CN(C)C(=O)[C@]12CCCC2=O
InChIInChI=1S/C10H15NO2/c1-7-6-11(2)9(13)10(7)5-3-4-8(10)12/h7H,3-6H2,1-2H3/t7-,10+/m0/s1
InChIKeyNEDJQDZCFHGPCO-OIBJUYFYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.83
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 (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione?
The IUPAC name of (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione (CID 15317456) is (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione.
What is the SMILES notation for (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione?
The canonical SMILES for (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione is C[C@H]1CN(C)C(=O)[C@]12CCCC2=O.
What is the InChIKey of (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione?
The InChIKey is NEDJQDZCFHGPCO-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-6-11(2)9(13)10(7)5-3-4-8(10)12/h7H,3-6H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione?
(4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione has a molecular weight of 181.23 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,4-dimethyl-2-azaspiro[4.4]nonane-1,9-dione is sourced from PubChem (CID 15317456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).