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

C10H14F3N3O — CID 79959714

IUPAC4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C10H14F3N3O/c1-16-8(17)15-7(14)9(16)4-2-3-6(5-9)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,17)
InChIKeyXFZMMROWLYGQJA-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.90
Rot. Bonds

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

4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959714) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959714
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C10H14F3N3O/c1-16-8(17)15-7(14)9(16)4-2-3-6(5-9)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,17)
InChIKeyXFZMMROWLYGQJA-UHFFFAOYSA-N
XLogP1.90
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959714) is 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is CN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is XFZMMROWLYGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-16-8(17)15-7(14)9(16)4-2-3-6(5-9)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,17).
What are the key properties of 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).