1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C21H17NO5 — CID 3386107

IUPAC1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccco2)o1
InChIInChI=1S/C21H17NO5/c1-13-9-10-16(27-13)19(23)17-18(15-8-5-11-26-15)22(21(25)20(17)24)12-14-6-3-2-4-7-14/h2-11,18,24H,12H2,1H3
InChIKeyDNIMJKUZGDGZSK-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.96
Rot. Bonds5

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

1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3386107) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3386107
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccco2)o1
InChIInChI=1S/C21H17NO5/c1-13-9-10-16(27-13)19(23)17-18(15-8-5-11-26-15)22(21(25)20(17)24)12-14-6-3-2-4-7-14/h2-11,18,24H,12H2,1H3
InChIKeyDNIMJKUZGDGZSK-UHFFFAOYSA-N
XLogP3.96
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108655839
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108657236
3-(1-benzofuran-2-carbonyl)-1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108657121
2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 4630763
(2S)-1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 27304529
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108657171
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108652917
1-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108657145
4-[[2-(furan-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]methyl]benzoic acid
CID 108607381
1-benzyl-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3387017
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4059891

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 3386107) is 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2ccco2)o1.
What is the InChIKey of 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is DNIMJKUZGDGZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-13-9-10-16(27-13)19(23)17-18(15-8-5-11-26-15)22(21(25)20(17)24)12-14-6-3-2-4-7-14/h2-11,18,24H,12H2,1H3.
What are the key properties of 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 363.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3386107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).