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

C12H16F3N3O — CID 79966953

IUPAC4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O/c1-2-6-18-10(19)17-9(16)11(18)5-3-4-8(7-11)12(13,14)15/h2,8H,1,3-7H2,(H2,16,17,19)
InChIKeyAPGAICMRZGRLEV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds2

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

4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79966953) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79966953
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O/c1-2-6-18-10(19)17-9(16)11(18)5-3-4-8(7-11)12(13,14)15/h2,8H,1,3-7H2,(H2,16,17,19)
InChIKeyAPGAICMRZGRLEV-UHFFFAOYSA-N
XLogP2.46
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79966953) is 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is C=CCN1C(=O)N=C(N)C12CCCC(C(F)(F)F)C2.
What is the InChIKey of 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is APGAICMRZGRLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-6-18-10(19)17-9(16)11(18)5-3-4-8(7-11)12(13,14)15/h2,8H,1,3-7H2,(H2,16,17,19).
What are the key properties of 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79966953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).