4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one

C25H30N2O6 — CID 3724835

IUPAC4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C25H30N2O6/c1-3-13-32-19-6-4-5-18(16-19)22-21(23(28)20-8-7-17(2)33-20)24(29)25(30)27(22)10-9-26-11-14-31-15-12-26/h4-8,16,22,29H,3,9-15H2,1-2H3
InChIKeyMVZYRNSZDHRXKH-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.29
Rot. Bonds9

About 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 3724835) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID3724835
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C25H30N2O6/c1-3-13-32-19-6-4-5-18(16-19)22-21(23(28)20-8-7-17(2)33-20)24(29)25(30)27(22)10-9-26-11-14-31-15-12-26/h4-8,16,22,29H,3,9-15H2,1-2H3
InChIKeyMVZYRNSZDHRXKH-UHFFFAOYSA-N
XLogP3.29
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one (CID 3724835) is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is MVZYRNSZDHRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-3-13-32-19-6-4-5-18(16-19)22-21(23(28)20-8-7-17(2)33-20)24(29)25(30)27(22)10-9-26-11-14-31-15-12-26/h4-8,16,22,29H,3,9-15H2,1-2H3.
What are the key properties of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 454.52 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3724835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).