4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

C11H10F3N3O — CID 168686682

IUPAC4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H10F3N3O/c1-2-7-5-9(18)17(6-7)10-15-4-3-8(16-10)11(12,13)14/h2-4,7H,1,5-6H2
InChIKeyRLJPFQDLUQJWHD-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.03
Rot. Bonds2

About 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (PubChem CID 168686682) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
PubChem CID168686682
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H10F3N3O/c1-2-7-5-9(18)17(6-7)10-15-4-3-8(16-10)11(12,13)14/h2-4,7H,1,5-6H2
InChIKeyRLJPFQDLUQJWHD-UHFFFAOYSA-N
XLogP2.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (CID 168686682) is 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is C=CC1CC(=O)N(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The InChIKey is RLJPFQDLUQJWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-7-5-9(18)17(6-7)10-15-4-3-8(16-10)11(12,13)14/h2-4,7H,1,5-6H2.
What are the key properties of 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one has a molecular weight of 257.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168686682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).