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 6222286

IUPAC3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(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+
InChIKeyRFFCRMYNEHOUMX-CMDGGOBGSA-N
MW438.48 g/mol
LogP2.60
Rot. Bonds8

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

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 6222286) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 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 Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID6222286
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(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+
InChIKeyRFFCRMYNEHOUMX-CMDGGOBGSA-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

CID 10389213
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CID 652969
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CID 2812276
CID 2812276
CID 6470283
CID 6470283
CID 9509480
CID 9509480
CID 16453204
CID 16453204
CID 18161373
CID 18161373
CID 753174
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CID 1100481
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CID 2909905
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Frequently Asked Questions

What is the IUPAC name of 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 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 6222286) is 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 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 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(C2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1.
What is the InChIKey of 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-CMDGGOBGSA-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+.
What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
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 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 6222286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).