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

C12H18F3N3O2 — CID 79966914

IUPAC4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCOCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3O2/c1-20-6-5-18-10(19)17-9(16)11(18)4-2-3-8(7-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,19)
InChIKeyMUEOOOHRDPLDHR-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.92
Rot. Bonds3

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

4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79966914) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79966914
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCOCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3O2/c1-20-6-5-18-10(19)17-9(16)11(18)4-2-3-8(7-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,19)
InChIKeyMUEOOOHRDPLDHR-UHFFFAOYSA-N
XLogP1.92
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79966914) is 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is COCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is MUEOOOHRDPLDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-20-6-5-18-10(19)17-9(16)11(18)4-2-3-8(7-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,19).
What are the key properties of 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 293.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79966914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).