3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one

C20H21NO6 — CID 108614627

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC
InChIInChI=1S/C20H21NO6/c1-25-11-6-10-21-17(13-7-3-4-8-14(13)26-2)16(19(23)20(21)24)18(22)15-9-5-12-27-15/h3-5,7-9,12,17,23H,6,10-11H2,1-2H3
InChIKeyPWEHJXZDHXXUOE-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.90
Rot. Bonds8

About 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one (PubChem CID 108614627) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
PubChem CID108614627
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
SMILESCOCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC
InChIInChI=1S/C20H21NO6/c1-25-11-6-10-21-17(13-7-3-4-8-14(13)26-2)16(19(23)20(21)24)18(22)15-9-5-12-27-15/h3-5,7-9,12,17,23H,6,10-11H2,1-2H3
InChIKeyPWEHJXZDHXXUOE-UHFFFAOYSA-N
XLogP2.90
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 46949084
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7371665
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108620962
3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108646355
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 661728
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108614622
2-[(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7368335
(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1323791
3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108662784
3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108621136
2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108580536
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 7432209

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one (CID 108614627) is 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one is COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The InChIKey is PWEHJXZDHXXUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-25-11-6-10-21-17(13-7-3-4-8-14(13)26-2)16(19(23)20(21)24)18(22)15-9-5-12-27-15/h3-5,7-9,12,17,23H,6,10-11H2,1-2H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one has a molecular weight of 371.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108614627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).