4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

C25H30N2O7 — CID 75793481

IUPAC4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC
InChIInChI=1S/C25H30N2O7/c1-15-7-8-17(34-15)22(28)20-21(16-13-18(31-2)24(33-4)19(14-16)32-3)27(25(30)23(20)29)12-11-26-9-5-6-10-26/h7-8,13-14,21,29H,5-6,9-12H2,1-4H3
InChIKeyZOMHHKRIKIPELP-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.29
Rot. Bonds9

About 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 75793481) has the molecular formula C25H30N2O7 and a molecular weight of 470.52 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
PubChem CID75793481
Molecular FormulaC25H30N2O7
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC
InChIInChI=1S/C25H30N2O7/c1-15-7-8-17(34-15)22(28)20-21(16-13-18(31-2)24(33-4)19(14-16)32-3)27(25(30)23(20)29)12-11-26-9-5-6-10-26/h7-8,13-14,21,29H,5-6,9-12H2,1-4H3
InChIKeyZOMHHKRIKIPELP-UHFFFAOYSA-N
XLogP3.29
TPSA101.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793477
1-[3-(dimethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 3754983
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 23959661
2-(4-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793499
2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2918495
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 3968827
2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 23881758
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 2919516
4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 4864194
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3147569
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793503
2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 3421301

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (CID 75793481) is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC.
What is the InChIKey of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is ZOMHHKRIKIPELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O7/c1-15-7-8-17(34-15)22(28)20-21(16-13-18(31-2)24(33-4)19(14-16)32-3)27(25(30)23(20)29)12-11-26-9-5-6-10-26/h7-8,13-14,21,29H,5-6,9-12H2,1-4H3.
What are the key properties of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 470.52 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).