2-azaspiro[4.4]nonane-1,3-dione

C8H11NO2 — CID 4961799

IUPAC2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1
InChIInChI=1S/C8H11NO2/c10-6-5-8(7(11)9-6)3-1-2-4-8/h1-5H2,(H,9,10,11)
InChIKeyBGTYXSMQJAWTJV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds

About 2-azaspiro[4.4]nonane-1,3-dione

2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 4961799) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-azaspiro[4.4]nonane-1,3-dione
PubChem CID4961799
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1
InChIInChI=1S/C8H11NO2/c10-6-5-8(7(11)9-6)3-1-2-4-8/h1-5H2,(H,9,10,11)
InChIKeyBGTYXSMQJAWTJV-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-azaspiro[4.4]nonane-1,3-dione (CID 4961799) is 2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is BGTYXSMQJAWTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-6-5-8(7(11)9-6)3-1-2-4-8/h1-5H2,(H,9,10,11).
What are the key properties of 2-azaspiro[4.4]nonane-1,3-dione?
2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 153.18 g/mol, XLogP of 0.59, 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-1,3-dione is sourced from PubChem (CID 4961799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).