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

C13H24N2O2 — CID 83237487

IUPAC6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C13H24N2O2/c1-4-17-8-7-15-11(9-10(2)3)14-13(5-6-13)12(15)16/h10-11,14H,4-9H2,1-3H3
InChIKeyWQVBMSBYIXFCQW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds6

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

6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83237487) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83237487
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C13H24N2O2/c1-4-17-8-7-15-11(9-10(2)3)14-13(5-6-13)12(15)16/h10-11,14H,4-9H2,1-3H3
InChIKeyWQVBMSBYIXFCQW-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
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-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83237487) is 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CCOCCN1C(=O)C2(CC2)NC1CC(C)C.
What is the InChIKey of 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is WQVBMSBYIXFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-17-8-7-15-11(9-10(2)3)14-13(5-6-13)12(15)16/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 240.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83237487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).