5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

C13H17F3N2O — CID 176905877

IUPAC5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)N1CCC(c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-4-3-9(7-18)10-6-17-12(19)5-11(10)13(14,15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyQEYIMBJQEJSANG-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.59
Rot. Bonds2

About 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 176905877) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID176905877
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)N1CCC(c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-4-3-9(7-18)10-6-17-12(19)5-11(10)13(14,15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyQEYIMBJQEJSANG-UHFFFAOYSA-N
XLogP2.59
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 176905877) is 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is CC(C)N1CCC(c2c[nH]c(=O)cc2C(F)(F)F)C1.
What is the InChIKey of 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QEYIMBJQEJSANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8(2)18-4-3-9(7-18)10-6-17-12(19)5-11(10)13(14,15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrrolidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176905877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).