1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one

C13H17F3N2O — CID 81320207

IUPAC1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCCC1CCCN1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-6-1-7-12(19)18(11)9-3-5-10-4-2-8-17-10/h1,6-7,10,17H,2-5,8-9H2
InChIKeyGUDKFIWBLDREHK-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.40
Rot. Bonds4

About 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one

1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320207) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320207
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCCC1CCCN1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-6-1-7-12(19)18(11)9-3-5-10-4-2-8-17-10/h1,6-7,10,17H,2-5,8-9H2
InChIKeyGUDKFIWBLDREHK-UHFFFAOYSA-N
XLogP2.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one (CID 81320207) is 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCCC1CCCN1.
What is the InChIKey of 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is GUDKFIWBLDREHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-6-1-7-12(19)18(11)9-3-5-10-4-2-8-17-10/h1,6-7,10,17H,2-5,8-9H2.
What are the key properties of 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one?
1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-2-ylpropyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).