1,3-diazaspiro[4.5]decane-2,4,8-trione

C8H10N2O3 — CID 66728930

IUPAC1,3-diazaspiro[4.5]decane-2,4,8-trione
SMILESO=C1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C8H10N2O3/c11-5-1-3-8(4-2-5)6(12)9-7(13)10-8/h1-4H2,(H2,9,10,12,13)
InChIKeyIVSBWJVHDCWNQR-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.29
Rot. Bonds

About 1,3-diazaspiro[4.5]decane-2,4,8-trione

1,3-diazaspiro[4.5]decane-2,4,8-trione (PubChem CID 66728930) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1,3-diazaspiro[4.5]decane-2,4,8-trione.

Molecular Properties

Compound Name1,3-diazaspiro[4.5]decane-2,4,8-trione
PubChem CID66728930
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1,3-diazaspiro[4.5]decane-2,4,8-trione
SMILESO=C1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C8H10N2O3/c11-5-1-3-8(4-2-5)6(12)9-7(13)10-8/h1-4H2,(H2,9,10,12,13)
InChIKeyIVSBWJVHDCWNQR-UHFFFAOYSA-N
XLogP-0.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2,4,8-trione?
The IUPAC name of 1,3-diazaspiro[4.5]decane-2,4,8-trione (CID 66728930) is 1,3-diazaspiro[4.5]decane-2,4,8-trione.
What is the SMILES notation for 1,3-diazaspiro[4.5]decane-2,4,8-trione?
The canonical SMILES for 1,3-diazaspiro[4.5]decane-2,4,8-trione is O=C1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 1,3-diazaspiro[4.5]decane-2,4,8-trione?
The InChIKey is IVSBWJVHDCWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-5-1-3-8(4-2-5)6(12)9-7(13)10-8/h1-4H2,(H2,9,10,12,13).
What are the key properties of 1,3-diazaspiro[4.5]decane-2,4,8-trione?
1,3-diazaspiro[4.5]decane-2,4,8-trione has a molecular weight of 182.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazaspiro[4.5]decane-2,4,8-trione is sourced from PubChem (CID 66728930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).