2,7-diazaspiro[4.5]decane-6,8-dione

C8H12N2O2 — CID 146198232

IUPAC2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCNC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-6-1-2-8(7(12)10-6)3-4-9-5-8/h9H,1-5H2,(H,10,11,12)
InChIKeyUKJXZGPIUGDZMZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.60
Rot. Bonds

About 2,7-diazaspiro[4.5]decane-6,8-dione

2,7-diazaspiro[4.5]decane-6,8-dione (PubChem CID 146198232) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,7-diazaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name2,7-diazaspiro[4.5]decane-6,8-dione
PubChem CID146198232
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCNC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-6-1-2-8(7(12)10-6)3-4-9-5-8/h9H,1-5H2,(H,10,11,12)
InChIKeyUKJXZGPIUGDZMZ-UHFFFAOYSA-N
XLogP-0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.5]decane-6,8-dione?
The IUPAC name of 2,7-diazaspiro[4.5]decane-6,8-dione (CID 146198232) is 2,7-diazaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 2,7-diazaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 2,7-diazaspiro[4.5]decane-6,8-dione is O=C1CCC2(CCNC2)C(=O)N1.
What is the InChIKey of 2,7-diazaspiro[4.5]decane-6,8-dione?
The InChIKey is UKJXZGPIUGDZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-6-1-2-8(7(12)10-6)3-4-9-5-8/h9H,1-5H2,(H,10,11,12).
What are the key properties of 2,7-diazaspiro[4.5]decane-6,8-dione?
2,7-diazaspiro[4.5]decane-6,8-dione has a molecular weight of 168.20 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 146198232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).