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

C12H18F3N3O — CID 79960281

IUPAC4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3O/c1-2-6-18-10(19)17-9(16)11(18)5-3-4-8(7-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,19)
InChIKeyDEHJSYMYIYJZTF-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.68
Rot. Bonds2

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

4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960281) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960281
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H18F3N3O/c1-2-6-18-10(19)17-9(16)11(18)5-3-4-8(7-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,19)
InChIKeyDEHJSYMYIYJZTF-UHFFFAOYSA-N
XLogP2.68
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960281) is 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is CCCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is DEHJSYMYIYJZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-6-18-10(19)17-9(16)11(18)5-3-4-8(7-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,19).
What are the key properties of 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 277.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).