1,3-diazaspiro[4.5]decane-2,4-dione

C8H12N2O2 — CID 12799

IUPAC1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCC2)N1
InChIInChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)
InChIKeyNERNEXMEYQFFHU-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.53
Rot. Bonds

About 1,3-diazaspiro[4.5]decane-2,4-dione

1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 12799) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID12799
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCC2)N1
InChIInChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)
InChIKeyNERNEXMEYQFFHU-UHFFFAOYSA-N
XLogP0.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3-diazaspiro[4.5]decane-2,4-dione (CID 12799) is 1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCCCC2)N1.
What is the InChIKey of 1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NERNEXMEYQFFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12).
What are the key properties of 1,3-diazaspiro[4.5]decane-2,4-dione?
1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 12799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).