(3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one

C22H20FNO — CID 143466872

IUPAC(3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one
SMILESC=C(C)C1=C(c2ccc(F)cc2)NC(=O)/C1=C(/C)c1ccc(C)cc1
InChIInChI=1S/C22H20FNO/c1-13(2)19-20(15(4)16-7-5-14(3)6-8-16)22(25)24-21(19)17-9-11-18(23)12-10-17/h5-12H,1H2,2-4H3,(H,24,25)/b20-15-
InChIKeyJTTFNKITHXVXEF-HKWRFOASSA-N
MW333.41 g/mol
LogP5.02
Rot. Bonds3

About (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one

(3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one (PubChem CID 143466872) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one
PubChem CID143466872
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name(3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one
SMILESC=C(C)C1=C(c2ccc(F)cc2)NC(=O)/C1=C(/C)c1ccc(C)cc1
InChIInChI=1S/C22H20FNO/c1-13(2)19-20(15(4)16-7-5-14(3)6-8-16)22(25)24-21(19)17-9-11-18(23)12-10-17/h5-12H,1H2,2-4H3,(H,24,25)/b20-15-
InChIKeyJTTFNKITHXVXEF-HKWRFOASSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The IUPAC name of (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one (CID 143466872) is (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The canonical SMILES for (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one is C=C(C)C1=C(c2ccc(F)cc2)NC(=O)/C1=C(/C)c1ccc(C)cc1.
What is the InChIKey of (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one?
The InChIKey is JTTFNKITHXVXEF-HKWRFOASSA-N. The full InChI is InChI=1S/C22H20FNO/c1-13(2)19-20(15(4)16-7-5-14(3)6-8-16)22(25)24-21(19)17-9-11-18(23)12-10-17/h5-12H,1H2,2-4H3,(H,24,25)/b20-15-.
What are the key properties of (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one?
(3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one has a molecular weight of 333.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-fluorophenyl)-3-[1-(4-methylphenyl)ethylidene]-4-prop-1-en-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 143466872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).