5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one

C12H8F3NO — CID 24782363

IUPAC5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3NO/c1-7-10(6-11(17)16-7)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H2,(H,16,17)
InChIKeyDPEICCDLOBUKNO-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.73
Rot. Bonds1

About 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one

5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one (PubChem CID 24782363) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one.

Molecular Properties

Compound Name5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one
PubChem CID24782363
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8F3NO/c1-7-10(6-11(17)16-7)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H2,(H,16,17)
InChIKeyDPEICCDLOBUKNO-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
The IUPAC name of 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one (CID 24782363) is 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one.
What is the SMILES notation for 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
The canonical SMILES for 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one is C=C1NC(=O)C=C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
The InChIKey is DPEICCDLOBUKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c1-7-10(6-11(17)16-7)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H2,(H,16,17).
What are the key properties of 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one?
5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one has a molecular weight of 239.20 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one is sourced from PubChem (CID 24782363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).