8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C9H13N3O3 — CID 30545070

IUPAC8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C9H13N3O3/c1-6(13)12-4-2-9(3-5-12)7(14)10-8(15)11-9/h2-5H2,1H3,(H2,10,11,14,15)
InChIKeyJWWJTVOLGNBKIP-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.79
Rot. Bonds

About 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 30545070) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID30545070
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C9H13N3O3/c1-6(13)12-4-2-9(3-5-12)7(14)10-8(15)11-9/h2-5H2,1H3,(H2,10,11,14,15)
InChIKeyJWWJTVOLGNBKIP-UHFFFAOYSA-N
XLogP-0.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.79
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 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 30545070) is 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JWWJTVOLGNBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(13)12-4-2-9(3-5-12)7(14)10-8(15)11-9/h2-5H2,1H3,(H2,10,11,14,15).
What are the key properties of 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 30545070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).