1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one

C10H11F3N2O — CID 103072409

IUPAC1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC=C(CN)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O/c1-7(4-14)5-15-6-8(10(11,12)13)2-3-9(15)16/h2-3,6H,1,4-5,14H2
InChIKeyNLDCHZQYHNYFPL-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.38
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 103072409) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID103072409
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC=C(CN)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O/c1-7(4-14)5-15-6-8(10(11,12)13)2-3-9(15)16/h2-3,6H,1,4-5,14H2
InChIKeyNLDCHZQYHNYFPL-UHFFFAOYSA-N
XLogP1.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-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

Related Compounds

1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072410
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072411
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 42901397
1-(3-bromopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279615
potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide
CID 63703622
1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one
CID 60643629
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 64764832
2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione
CID 71847357
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 55315611

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one (CID 103072409) is 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one is C=C(CN)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is NLDCHZQYHNYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-7(4-14)5-15-6-8(10(11,12)13)2-3-9(15)16/h2-3,6H,1,4-5,14H2.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 232.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 103072409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).