6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one

C10H18N2O2 — CID 83237480

IUPAC6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C10H18N2O2/c1-3-14-7-6-12-8(2)11-10(4-5-10)9(12)13/h8,11H,3-7H2,1-2H3
InChIKeyUVYUWVBIBYBGRX-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds4

About 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one

6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83237480) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83237480
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C10H18N2O2/c1-3-14-7-6-12-8(2)11-10(4-5-10)9(12)13/h8,11H,3-7H2,1-2H3
InChIKeyUVYUWVBIBYBGRX-UHFFFAOYSA-N
XLogP0.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83237480) is 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one is CCOCCN1C(=O)C2(CC2)NC1C.
What is the InChIKey of 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is UVYUWVBIBYBGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-14-7-6-12-8(2)11-10(4-5-10)9(12)13/h8,11H,3-7H2,1-2H3.
What are the key properties of 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 198.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83237480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).