2-azaspiro[4.4]nonane-1,9-dione

C8H11NO2 — CID 84649737

IUPAC2-azaspiro[4.4]nonane-1,9-dione
SMILESO=C1CCCC12CCNC2=O
InChIInChI=1S/C8H11NO2/c10-6-2-1-3-8(6)4-5-9-7(8)11/h1-5H2,(H,9,11)
InChIKeyGESBMLLPMMYSGS-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.25
Rot. Bonds

About 2-azaspiro[4.4]nonane-1,9-dione

2-azaspiro[4.4]nonane-1,9-dione (PubChem CID 84649737) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonane-1,9-dione.

Molecular Properties

Compound Name2-azaspiro[4.4]nonane-1,9-dione
PubChem CID84649737
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-azaspiro[4.4]nonane-1,9-dione
SMILESO=C1CCCC12CCNC2=O
InChIInChI=1S/C8H11NO2/c10-6-2-1-3-8(6)4-5-9-7(8)11/h1-5H2,(H,9,11)
InChIKeyGESBMLLPMMYSGS-UHFFFAOYSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
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 2-azaspiro[4.4]nonane-1,9-dione?
The IUPAC name of 2-azaspiro[4.4]nonane-1,9-dione (CID 84649737) is 2-azaspiro[4.4]nonane-1,9-dione.
What is the SMILES notation for 2-azaspiro[4.4]nonane-1,9-dione?
The canonical SMILES for 2-azaspiro[4.4]nonane-1,9-dione is O=C1CCCC12CCNC2=O.
What is the InChIKey of 2-azaspiro[4.4]nonane-1,9-dione?
The InChIKey is GESBMLLPMMYSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-6-2-1-3-8(6)4-5-9-7(8)11/h1-5H2,(H,9,11).
What are the key properties of 2-azaspiro[4.4]nonane-1,9-dione?
2-azaspiro[4.4]nonane-1,9-dione has a molecular weight of 153.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nonane-1,9-dione is sourced from PubChem (CID 84649737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).