2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one

C17H15NO6 — CID 3155876

IUPAC2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(C2NC(=O)C(O)=C2C(=O)c2ccco2)cc1OC
InChIInChI=1S/C17H15NO6/c1-22-10-6-5-9(8-12(10)23-2)14-13(16(20)17(21)18-14)15(19)11-4-3-7-24-11/h3-8,14,20H,1-2H3,(H,18,21)
InChIKeyAFANBIPJLBQLHZ-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.16
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one

2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 3155876) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID3155876
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(C2NC(=O)C(O)=C2C(=O)c2ccco2)cc1OC
InChIInChI=1S/C17H15NO6/c1-22-10-6-5-9(8-12(10)23-2)14-13(16(20)17(21)18-14)15(19)11-4-3-7-24-11/h3-8,14,20H,1-2H3,(H,18,21)
InChIKeyAFANBIPJLBQLHZ-UHFFFAOYSA-N
XLogP2.16
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 3155878
(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 7409055
(2R)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 7409052
methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1161280
(2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 1322015
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 2934517
2-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4244716
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 7236369
(2S)-2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 6980522
2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615487
1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108703633
2-(4-bromophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 5108665

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one (CID 3155876) is 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one is COc1ccc(C2NC(=O)C(O)=C2C(=O)c2ccco2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is AFANBIPJLBQLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c1-22-10-6-5-9(8-12(10)23-2)14-13(16(20)17(21)18-14)15(19)11-4-3-7-24-11/h3-8,14,20H,1-2H3,(H,18,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 329.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 3155876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).