1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one

C19H16FNO4 — CID 513239

IUPAC1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CC2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H16FNO4/c20-12-3-1-11(2-4-12)9-14-7-8-16(25-14)17(22)15-10-21(13-5-6-13)19(24)18(15)23/h1-4,7-8,13,23H,5-6,9-10H2
InChIKeyWOYUWVGHWFVONJ-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one

1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 513239) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID513239
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CC2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H16FNO4/c20-12-3-1-11(2-4-12)9-14-7-8-16(25-14)17(22)15-10-21(13-5-6-13)19(24)18(15)23/h1-4,7-8,13,23H,5-6,9-10H2
InChIKeyWOYUWVGHWFVONJ-UHFFFAOYSA-N
XLogP3.01
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (CID 513239) is 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CC2)C1)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is WOYUWVGHWFVONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c20-12-3-1-11(2-4-12)9-14-7-8-16(25-14)17(22)15-10-21(13-5-6-13)19(24)18(15)23/h1-4,7-8,13,23H,5-6,9-10H2.
What are the key properties of 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 341.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 513239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).