1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C25H23NO4 — CID 4059891

IUPAC1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-16(2)18-10-12-19(13-11-18)22-21(23(27)20-9-6-14-30-20)24(28)25(29)26(22)15-17-7-4-3-5-8-17/h3-14,16,22,28H,15H2,1-2H3
InChIKeyMLPNUUOCTWWMRY-UHFFFAOYSA-N
MW401.46 g/mol
LogP5.18
Rot. Bonds6

About 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 4059891) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID4059891
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-16(2)18-10-12-19(13-11-18)22-21(23(27)20-9-6-14-30-20)24(28)25(29)26(22)15-17-7-4-3-5-8-17/h3-14,16,22,28H,15H2,1-2H3
InChIKeyMLPNUUOCTWWMRY-UHFFFAOYSA-N
XLogP5.18
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 3387018
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 7462074
1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4692036
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 565942
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 3152749
(2R)-1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 7274668
(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51981984
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2H-pyrrol-5-one
CID 108707879
3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639989
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 986549
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401778

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 4059891) is 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CC(C)c1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is MLPNUUOCTWWMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-16(2)18-10-12-19(13-11-18)22-21(23(27)20-9-6-14-30-20)24(28)25(29)26(22)15-17-7-4-3-5-8-17/h3-14,16,22,28H,15H2,1-2H3.
What are the key properties of 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 401.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4059891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).