6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one

C13H16N2O — CID 83239062

IUPAC6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN1C(=O)C2(CC2)NC1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-15-11(10-6-4-3-5-7-10)14-13(8-9-13)12(15)16/h3-7,11,14H,2,8-9H2,1H3
InChIKeyAIUFXWVLGYPLQX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.67
Rot. Bonds2

About 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one

6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83239062) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83239062
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN1C(=O)C2(CC2)NC1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-15-11(10-6-4-3-5-7-10)14-13(8-9-13)12(15)16/h3-7,11,14H,2,8-9H2,1H3
InChIKeyAIUFXWVLGYPLQX-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246182
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246689
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
6-(2-ethoxyethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237372
6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263091
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83239062) is 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one is CCN1C(=O)C2(CC2)NC1c1ccccc1.
What is the InChIKey of 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is AIUFXWVLGYPLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-15-11(10-6-4-3-5-7-10)14-13(8-9-13)12(15)16/h3-7,11,14H,2,8-9H2,1H3.
What are the key properties of 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 216.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83239062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).