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

C21H20FNO4 — CID 22937874

IUPAC1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCC2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C21H20FNO4/c22-14-7-5-13(6-8-14)11-16-9-10-18(27-16)19(24)17-12-23(21(26)20(17)25)15-3-1-2-4-15/h5-10,15,25H,1-4,11-12H2
InChIKeyPGJDPUVHAWHADO-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.79
Rot. Bonds5

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

1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 22937874) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID22937874
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCC2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C21H20FNO4/c22-14-7-5-13(6-8-14)11-16-9-10-18(27-16)19(24)17-12-23(21(26)20(17)25)15-3-1-2-4-15/h5-10,15,25H,1-4,11-12H2
InChIKeyPGJDPUVHAWHADO-UHFFFAOYSA-N
XLogP3.79
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (CID 22937874) is 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CCCC2)C1)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is PGJDPUVHAWHADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-14-7-5-13(6-8-14)11-16-9-10-18(27-16)19(24)17-12-23(21(26)20(17)25)15-3-1-2-4-15/h5-10,15,25H,1-4,11-12H2.
What are the key properties of 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 369.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 22937874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).