1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

C13H17F3N2O2 — CID 63280433

IUPAC1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCC1CCCO1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-3-4-12(19)18(9-10)6-5-17-8-11-2-1-7-20-11/h3-4,9,11,17H,1-2,5-8H2
InChIKeyCPYMQHIKSHMZIC-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280433) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280433
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCC1CCCO1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-3-4-12(19)18(9-10)6-5-17-8-11-2-1-7-20-11/h3-4,9,11,17H,1-2,5-8H2
InChIKeyCPYMQHIKSHMZIC-UHFFFAOYSA-N
XLogP1.64
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
CID 63810079
5-bromo-3-methyl-1-[2-(oxolan-2-ylmethylamino)ethyl]pyridin-2-one
CID 83134085
6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 55156072
2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 60585635
1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 114908402
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]acetamide
CID 164637207
1-[2-(2-thiophen-3-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280215
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686315
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280433) is 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCNCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CPYMQHIKSHMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)10-3-4-12(19)18(9-10)6-5-17-8-11-2-1-7-20-11/h3-4,9,11,17H,1-2,5-8H2.
What are the key properties of 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).