4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C14H14F3NO — CID 70373208

IUPAC4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESC=CCC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H14F3NO/c1-2-4-10-7-13(19)18(9-10)12-6-3-5-11(8-12)14(15,16)17/h2-3,5-6,8,10H,1,4,7,9H2
InChIKeyRGKUAJYBDYGYRA-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.63
Rot. Bonds3

About 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 70373208) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID70373208
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESC=CCC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H14F3NO/c1-2-4-10-7-13(19)18(9-10)12-6-3-5-11(8-12)14(15,16)17/h2-3,5-6,8,10H,1,4,7,9H2
InChIKeyRGKUAJYBDYGYRA-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 70373208) is 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is C=CCC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is RGKUAJYBDYGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-4-10-7-13(19)18(9-10)12-6-3-5-11(8-12)14(15,16)17/h2-3,5-6,8,10H,1,4,7,9H2.
What are the key properties of 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 269.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70373208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).