(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one

C18H16FNO — CID 44817312

IUPAC(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
SMILESO=C1CC/C(=C\c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C18H16FNO/c19-16-8-6-14(7-9-16)12-17-10-11-18(21)20(17)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2/b17-12+
InChIKeyZVFIPGAXMYDWNB-SFQUDFHCSA-N
MW281.33 g/mol
LogP3.99
Rot. Bonds3

About (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one

(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one (PubChem CID 44817312) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
PubChem CID44817312
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
SMILESO=C1CC/C(=C\c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C18H16FNO/c19-16-8-6-14(7-9-16)12-17-10-11-18(21)20(17)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2/b17-12+
InChIKeyZVFIPGAXMYDWNB-SFQUDFHCSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-1-benzyl-3-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 135086172
(5Z)-3-benzyl-5-[(4-fluorophenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 11278827
3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
CID 1047059
1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one
CID 74927692
1-benzyl-3-methylidenepiperidine-2,6-dione
CID 14335282
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474972
1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine
CID 69121840
(4E)-4-[(4-fluorophenyl)methylidene]-3-phenyl-1,3-oxazolidin-2-one
CID 138858087
2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one
CID 1471709
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
CID 2925774

Frequently Asked Questions

What is the IUPAC name of (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one?
The IUPAC name of (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one (CID 44817312) is (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one.
What is the SMILES notation for (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one?
The canonical SMILES for (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one is O=C1CC/C(=C\c2ccc(F)cc2)N1Cc1ccccc1.
What is the InChIKey of (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one?
The InChIKey is ZVFIPGAXMYDWNB-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-8-6-14(7-9-16)12-17-10-11-18(21)20(17)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2/b17-12+.
What are the key properties of (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one?
(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one has a molecular weight of 281.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one is sourced from PubChem (CID 44817312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).