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

C10H17N3O2 — CID 22097487

IUPAC3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C10H17N3O2/c1-3-13-8(14)10(11-9(13)15)4-6-12(2)7-5-10/h3-7H2,1-2H3,(H,11,15)
InChIKeyFHFJNCYHQZPOSL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.02
Rot. Bonds1

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

3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 22097487) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID22097487
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C10H17N3O2/c1-3-13-8(14)10(11-9(13)15)4-6-12(2)7-5-10/h3-7H2,1-2H3,(H,11,15)
InChIKeyFHFJNCYHQZPOSL-UHFFFAOYSA-N
XLogP0.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
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 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 22097487) is 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)NC2(CCN(C)CC2)C1=O.
What is the InChIKey of 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FHFJNCYHQZPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13-8(14)10(11-9(13)15)4-6-12(2)7-5-10/h3-7H2,1-2H3,(H,11,15).
What are the key properties of 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 22097487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).