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

C14H12F3NO2 — CID 11673595

IUPAC1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCCC1=O
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)11-6-3-10(4-7-11)5-8-13(20)18-9-1-2-12(18)19/h3-8H,1-2,9H2/b8-5+
InChIKeyRSIUNDZISMSXPH-VMPITWQZSA-N
MW283.25 g/mol
LogP2.87
Rot. Bonds2

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

1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one (PubChem CID 11673595) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one
PubChem CID11673595
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCCC1=O
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)11-6-3-10(4-7-11)5-8-13(20)18-9-1-2-12(18)19/h3-8H,1-2,9H2/b8-5+
InChIKeyRSIUNDZISMSXPH-VMPITWQZSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one (CID 11673595) is 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one is O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCCC1=O.
What is the InChIKey of 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one?
The InChIKey is RSIUNDZISMSXPH-VMPITWQZSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)11-6-3-10(4-7-11)5-8-13(20)18-9-1-2-12(18)19/h3-8H,1-2,9H2/b8-5+.
What are the key properties of 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one?
1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one has a molecular weight of 283.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 11673595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).