2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one

C9H14N2O — CID 59138346

IUPAC2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C9H14N2O/c1-2-7-10-8(12)9(11-7)5-3-4-6-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyOJOXQCNPFVVGAD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.24
Rot. Bonds1

About 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one

2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 59138346) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID59138346
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C9H14N2O/c1-2-7-10-8(12)9(11-7)5-3-4-6-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyOJOXQCNPFVVGAD-UHFFFAOYSA-N
XLogP1.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 59138346) is 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one is CCC1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is OJOXQCNPFVVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-7-10-8(12)9(11-7)5-3-4-6-9/h2-6H2,1H3,(H,10,11,12).
What are the key properties of 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 59138346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).