2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C19H19NO6 — CID 75793931

IUPAC2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1ccc(OC)c(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C)c1
InChIInChI=1S/C19H19NO6/c1-10-5-7-14(26-10)17(21)15-16(20(2)19(23)18(15)22)12-9-11(24-3)6-8-13(12)25-4/h5-9,16,22H,1-4H3
InChIKeyFBCYCAVURNZDJF-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.81
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 75793931) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID75793931
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1ccc(OC)c(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C)c1
InChIInChI=1S/C19H19NO6/c1-10-5-7-14(26-10)17(21)15-16(20(2)19(23)18(15)22)12-9-11(24-3)6-8-13(12)25-4/h5-9,16,22H,1-4H3
InChIKeyFBCYCAVURNZDJF-UHFFFAOYSA-N
XLogP2.81
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 4633728
4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 75793943
2-(2,5-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3254321
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3147569
4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 75793923
2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 75793895
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 2917566
2-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7368264
4-hydroxy-2-(4-methoxyphenyl)-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 2917712
(2S)-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7472801
(2R)-2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1333120
3-[(2R)-4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 7371734

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 75793931) is 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is COc1ccc(OC)c(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is FBCYCAVURNZDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-10-5-7-14(26-10)17(21)15-16(20(2)19(23)18(15)22)12-9-11(24-3)6-8-13(12)25-4/h5-9,16,22H,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 357.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).