4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one

C12H11F3N2O — CID 168686316

IUPAC4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H11F3N2O/c1-2-8-3-11(18)17(7-8)10-4-9(5-16-6-10)12(13,14)15/h2,4-6,8H,1,3,7H2
InChIKeyMOSSQKOZRJCOSM-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.64
Rot. Bonds2

About 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one

4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one (PubChem CID 168686316) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
PubChem CID168686316
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H11F3N2O/c1-2-8-3-11(18)17(7-8)10-4-9(5-16-6-10)12(13,14)15/h2,4-6,8H,1,3,7H2
InChIKeyMOSSQKOZRJCOSM-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one (CID 168686316) is 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one is C=CC1CC(=O)N(c2cncc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is MOSSQKOZRJCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-8-3-11(18)17(7-8)10-4-9(5-16-6-10)12(13,14)15/h2,4-6,8H,1,3,7H2.
What are the key properties of 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one?
4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 256.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 168686316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).