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

C11H16F3N3O — CID 138390375

IUPAC1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)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
LogP2.50
Rot. Bonds1

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

1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138390375) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138390375
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)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
XLogP2.50
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-(2-methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959231
4-Amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
4-Amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967728
4-Amino-1-propan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968346
4-Imino-1-(2-methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138388229
4-Imino-1-methyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138388434
4-Imino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138388675
4-Imino-1-methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138388904
4-Imino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138388977
4-Imino-1-propyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138389057
4-Imino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138389710
1-Ethyl-4-imino-8-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390386

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 138390375) is 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-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 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one?
1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138390375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).