6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one

C15H19FN2O2 — CID 83237493

IUPAC6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-2-20-9-8-18-13(11-4-3-5-12(16)10-11)17-15(6-7-15)14(18)19/h3-5,10,13,17H,2,6-9H2,1H3
InChIKeyGNRFIHCBMBTTRV-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.83
Rot. Bonds5

About 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83237493) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83237493
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-2-20-9-8-18-13(11-4-3-5-12(16)10-11)17-15(6-7-15)14(18)19/h3-5,10,13,17H,2,6-9H2,1H3
InChIKeyGNRFIHCBMBTTRV-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.83
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-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83237493) is 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is CCOCCN1C(=O)C2(CC2)NC1c1cccc(F)c1.
What is the InChIKey of 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is GNRFIHCBMBTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-20-9-8-18-13(11-4-3-5-12(16)10-11)17-15(6-7-15)14(18)19/h3-5,10,13,17H,2,6-9H2,1H3.
What are the key properties of 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 278.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83237493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).