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

C21H17NO5 — CID 108659143

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C)o2)cc1
InChIInChI=1S/C21H17NO5/c1-12-5-8-14(9-6-12)22-18(15-10-7-13(2)27-15)17(20(24)21(22)25)19(23)16-4-3-11-26-16/h3-11,18,24H,1-2H3
InChIKeyUHQBPXRDCJFYKP-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.27
Rot. Bonds4

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

3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108659143) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID108659143
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C)o2)cc1
InChIInChI=1S/C21H17NO5/c1-12-5-8-14(9-6-12)22-18(15-10-7-13(2)27-15)17(20(24)21(22)25)19(23)16-4-3-11-26-16/h3-11,18,24H,1-2H3
InChIKeyUHQBPXRDCJFYKP-UHFFFAOYSA-N
XLogP4.27
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584255
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658854
1-(3,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108606831
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
1-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606657
3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658332
(2S)-1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 1081115
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7697036
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658876
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1322116

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one (CID 108659143) is 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C)o2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is UHQBPXRDCJFYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-12-5-8-14(9-6-12)22-18(15-10-7-13(2)27-15)17(20(24)21(22)25)19(23)16-4-3-11-26-16/h3-11,18,24H,1-2H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 363.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108659143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).