(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C24H26N2O6 — CID 28746926

IUPAC(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C24H26N2O6/c1-30-18-6-4-17(5-7-18)22-21(20(27)9-8-19-3-2-14-32-19)23(28)24(29)26(22)11-10-25-12-15-31-16-13-25/h2-9,14,22,28H,10-13,15-16H2,1H3/b9-8+/t22-/m1/s1
InChIKeyRFFCRMYNEHOUMX-HYGBKTPJSA-N
MW438.48 g/mol
LogP2.60
Rot. Bonds8

About (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 28746926) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID28746926
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C24H26N2O6/c1-30-18-6-4-17(5-7-18)22-21(20(27)9-8-19-3-2-14-32-19)23(28)24(29)26(22)11-10-25-12-15-31-16-13-25/h2-9,14,22,28H,10-13,15-16H2,1H3/b9-8+/t22-/m1/s1
InChIKeyRFFCRMYNEHOUMX-HYGBKTPJSA-N
XLogP2.60
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276647
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 6226619
2-(4-fluorophenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4901422
(2S)-2-(2,5-dimethoxyphenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 28746976
2-(3-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 6225558
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276602
2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 71962860
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276597
2-(4-ethoxy-3-methoxyphenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276618
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 71962865
4-hydroxy-2-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6190016
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276607

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 28746926) is (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is COc1ccc([C@@H]2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1.
What is the InChIKey of (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is RFFCRMYNEHOUMX-HYGBKTPJSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-30-18-6-4-17(5-7-18)22-21(20(27)9-8-19-3-2-14-32-19)23(28)24(29)26(22)11-10-25-12-15-31-16-13-25/h2-9,14,22,28H,10-13,15-16H2,1H3/b9-8+/t22-/m1/s1.
What are the key properties of (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 438.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 28746926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).