2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

C20H18FNO5 — CID 3152547

IUPAC2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccccc1F)c1ccco1
InChIInChI=1S/C20H18FNO5/c21-14-7-2-1-6-13(14)17-16(18(23)15-8-4-10-27-15)19(24)20(25)22(17)11-12-5-3-9-26-12/h1-2,4,6-8,10,12,17,24H,3,5,9,11H2
InChIKeyGWCVOIPNOZSQEZ-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 3152547) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID3152547
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccccc1F)c1ccco1
InChIInChI=1S/C20H18FNO5/c21-14-7-2-1-6-13(14)17-16(18(23)15-8-4-10-27-15)19(24)20(25)22(17)11-12-5-3-9-26-12/h1-2,4,6-8,10,12,17,24H,3,5,9,11H2
InChIKeyGWCVOIPNOZSQEZ-UHFFFAOYSA-N
XLogP3.18
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (CID 3152547) is 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1ccccc1F)c1ccco1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is GWCVOIPNOZSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c21-14-7-2-1-6-13(14)17-16(18(23)15-8-4-10-27-15)19(24)20(25)22(17)11-12-5-3-9-26-12/h1-2,4,6-8,10,12,17,24H,3,5,9,11H2.
What are the key properties of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 371.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3152547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).