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

C12H16F3N3O — CID 79960841

IUPAC4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(C2CC2)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)7-2-1-5-11(6-7)9(16)17-10(19)18(11)8-3-4-8/h7-8H,1-6H2,(H2,16,17,19)
InChIKeyQOGUDBUWRDUIMI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.43
Rot. Bonds1

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

4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960841) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960841
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(C2CC2)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)7-2-1-5-11(6-7)9(16)17-10(19)18(11)8-3-4-8/h7-8H,1-6H2,(H2,16,17,19)
InChIKeyQOGUDBUWRDUIMI-UHFFFAOYSA-N
XLogP2.43
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960841) is 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is NC1=NC(=O)N(C2CC2)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is QOGUDBUWRDUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)7-2-1-5-11(6-7)9(16)17-10(19)18(11)8-3-4-8/h7-8H,1-6H2,(H2,16,17,19).
What are the key properties of 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).