1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H19N3O3 — CID 118759329

IUPAC1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C)C(=O)C12CCNCC2
InChIInChI=1S/C11H19N3O3/c1-13-9(15)11(3-5-12-6-4-11)14(10(13)16)7-8-17-2/h12H,3-8H2,1-2H3
InChIKeyLWIZHIQCYYGLAL-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.35
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 118759329) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID118759329
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C)C(=O)C12CCNCC2
InChIInChI=1S/C11H19N3O3/c1-13-9(15)11(3-5-12-6-4-11)14(10(13)16)7-8-17-2/h12H,3-8H2,1-2H3
InChIKeyLWIZHIQCYYGLAL-UHFFFAOYSA-N
XLogP-0.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 118759329) is 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(C)C(=O)C12CCNCC2.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LWIZHIQCYYGLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13-9(15)11(3-5-12-6-4-11)14(10(13)16)7-8-17-2/h12H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118759329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).