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

C14H24N2O2 — CID 83237990

IUPAC5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-2-18-10-9-16-12(11-5-3-4-6-11)15-14(7-8-14)13(16)17/h11-12,15H,2-10H2,1H3
InChIKeyHGAVEFWNGZEFNP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.50
Rot. Bonds5

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

5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83237990) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83237990
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-2-18-10-9-16-12(11-5-3-4-6-11)15-14(7-8-14)13(16)17/h11-12,15H,2-10H2,1H3
InChIKeyHGAVEFWNGZEFNP-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.50
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 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83237990) is 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is CCOCCN1C(=O)C2(CC2)NC1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is HGAVEFWNGZEFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-18-10-9-16-12(11-5-3-4-6-11)15-14(7-8-14)13(16)17/h11-12,15H,2-10H2,1H3.
What are the key properties of 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 252.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83237990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).