4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

C11H16F3N3O — CID 79967728

IUPAC4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C11H16F3N3O/c1-2-17-9(18)16-8(15)10(17)5-3-4-7(6-10)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16,18)
InChIKeyIZYQTLIAJGACDK-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.29
Rot. Bonds1

About 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79967728) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79967728
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C11H16F3N3O/c1-2-17-9(18)16-8(15)10(17)5-3-4-7(6-10)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16,18)
InChIKeyIZYQTLIAJGACDK-UHFFFAOYSA-N
XLogP2.29
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79967728) is 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is CCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is IZYQTLIAJGACDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-17-9(18)16-8(15)10(17)5-3-4-7(6-10)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16,18).
What are the key properties of 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79967728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).