2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

C18H14FNO4 — CID 110276513

IUPAC2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)C1c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-20-16(11-4-6-12(19)7-5-11)15(17(22)18(20)23)14(21)9-8-13-3-2-10-24-13/h2-10,16,22H,1H3/b9-8+
InChIKeyDHYQAOOUSFYBDI-CMDGGOBGSA-N
MW327.31 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 110276513) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID110276513
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)C1c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-20-16(11-4-6-12(19)7-5-11)15(17(22)18(20)23)14(21)9-8-13-3-2-10-24-13/h2-10,16,22H,1H3/b9-8+
InChIKeyDHYQAOOUSFYBDI-CMDGGOBGSA-N
XLogP3.03
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4901422
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one
CID 110276543
1-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one
CID 6236777
1-[2-(dimethylamino)ethyl]-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4899009
1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 110276573
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276597
methyl 4-[1-[2-(dimethylamino)ethyl]-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
CID 4895275
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 28746926
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276647
1-[2-(dimethylamino)ethyl]-2-(furan-2-yl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one
CID 4894250
1-[2-(diethylamino)ethyl]-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 18829292

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 110276513) is 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is CN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is DHYQAOOUSFYBDI-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-20-16(11-4-6-12(19)7-5-11)15(17(22)18(20)23)14(21)9-8-13-3-2-10-24-13/h2-10,16,22H,1H3/b9-8+.
What are the key properties of 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 327.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 110276513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).