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

C15H19ClN2O2 — CID 83237717

IUPAC5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/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
InChIKeyBGCAPXUFKMVWBO-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.34
Rot. Bonds5

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

5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83237717) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83237717
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1C(=O)C2(CC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/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
InChIKeyBGCAPXUFKMVWBO-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.34
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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Related Compounds

6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246999
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245613
6-(2-ethoxyethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237372
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83233386
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83232560
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438
5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83264030

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83237717) is 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is CCOCCN1C(=O)C2(CC2)NC1c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is BGCAPXUFKMVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/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 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 294.78 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83237717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).