4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one

C10H14F3N3O — CID 138388434

IUPAC4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)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
LogP2.11
Rot. Bonds

About 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one

4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138388434) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138388434
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)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
XLogP2.11
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 138388434) is 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-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-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one?
4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 249.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).