2-azaspiro[4.5]decane-3,4-dione

C9H13NO2 — CID 67184048

IUPAC2-azaspiro[4.5]decane-3,4-dione
SMILESO=C1NCC2(CCCCC2)C1=O
InChIInChI=1S/C9H13NO2/c11-7-8(12)10-6-9(7)4-2-1-3-5-9/h1-6H2,(H,10,12)
InChIKeySATYEXHIQKUMOH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds

About 2-azaspiro[4.5]decane-3,4-dione

2-azaspiro[4.5]decane-3,4-dione (PubChem CID 67184048) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane-3,4-dione.

Molecular Properties

Compound Name2-azaspiro[4.5]decane-3,4-dione
PubChem CID67184048
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-azaspiro[4.5]decane-3,4-dione
SMILESO=C1NCC2(CCCCC2)C1=O
InChIInChI=1S/C9H13NO2/c11-7-8(12)10-6-9(7)4-2-1-3-5-9/h1-6H2,(H,10,12)
InChIKeySATYEXHIQKUMOH-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decane-3,4-dione?
The IUPAC name of 2-azaspiro[4.5]decane-3,4-dione (CID 67184048) is 2-azaspiro[4.5]decane-3,4-dione.
What is the SMILES notation for 2-azaspiro[4.5]decane-3,4-dione?
The canonical SMILES for 2-azaspiro[4.5]decane-3,4-dione is O=C1NCC2(CCCCC2)C1=O.
What is the InChIKey of 2-azaspiro[4.5]decane-3,4-dione?
The InChIKey is SATYEXHIQKUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-7-8(12)10-6-9(7)4-2-1-3-5-9/h1-6H2,(H,10,12).
What are the key properties of 2-azaspiro[4.5]decane-3,4-dione?
2-azaspiro[4.5]decane-3,4-dione has a molecular weight of 167.21 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decane-3,4-dione is sourced from PubChem (CID 67184048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).