3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one

C9H9F3N2O — CID 18926409

IUPAC3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one
SMILESC=CCn1c(C(F)(F)F)ccc(N)c1=O
InChIInChI=1S/C9H9F3N2O/c1-2-5-14-7(9(10,11)12)4-3-6(13)8(14)15/h2-4H,1,5,13H2
InChIKeyNCMVKHFVKXTRHU-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.64
Rot. Bonds2

About 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one

3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 18926409) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID18926409
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one
SMILESC=CCn1c(C(F)(F)F)ccc(N)c1=O
InChIInChI=1S/C9H9F3N2O/c1-2-5-14-7(9(10,11)12)4-3-6(13)8(14)15/h2-4H,1,5,13H2
InChIKeyNCMVKHFVKXTRHU-UHFFFAOYSA-N
XLogP1.64
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one (CID 18926409) is 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one is C=CCn1c(C(F)(F)F)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is NCMVKHFVKXTRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-2-5-14-7(9(10,11)12)4-3-6(13)8(14)15/h2-4H,1,5,13H2.
What are the key properties of 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one?
3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 218.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-prop-2-enyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 18926409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).