1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one

C11H13F3N2O — CID 63280296

IUPAC1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCNC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-1-2-10(17)16(7-9)6-8-3-4-15-5-8/h1-2,7-8,15H,3-6H2
InChIKeyBQBNIYVZENWGCJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.48
Rot. Bonds2

About 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one

1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280296) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280296
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCNC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-1-2-10(17)16(7-9)6-8-3-4-15-5-8/h1-2,7-8,15H,3-6H2
InChIKeyBQBNIYVZENWGCJ-UHFFFAOYSA-N
XLogP1.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one (CID 63280296) is 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CC1CCNC1.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BQBNIYVZENWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-1-2-10(17)16(7-9)6-8-3-4-15-5-8/h1-2,7-8,15H,3-6H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).