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

C9H15N3O2 — CID 16795333

IUPAC8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-2-12-5-3-9(4-6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14)
InChIKeyTWGMLSCVFVHTEL-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.32
Rot. Bonds1

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

8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 16795333) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID16795333
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-2-12-5-3-9(4-6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14)
InChIKeyTWGMLSCVFVHTEL-UHFFFAOYSA-N
XLogP-0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.32
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-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 16795333) is 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is TWGMLSCVFVHTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-12-5-3-9(4-6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14).
What are the key properties of 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 16795333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).