(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

C26H30N2O7 — CID 28746976

IUPAC(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
SMILESCOc1ccc(OC)c([C@H]2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1
InChIInChI=1S/C26H30N2O7/c1-32-19-7-9-22(33-2)20(17-19)24-23(21(29)8-6-18-5-3-14-35-18)25(30)26(31)28(24)11-4-10-27-12-15-34-16-13-27/h3,5-9,14,17,24,30H,4,10-13,15-16H2,1-2H3/b8-6+/t24-/m0/s1
InChIKeyFKKGBLFECWKHSM-YFTVHVBSSA-N
MW482.53 g/mol
LogP3.00
Rot. Bonds10

About (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

(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 (PubChem CID 28746976) has the molecular formula C26H30N2O7 and a molecular weight of 482.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID28746976
Molecular FormulaC26H30N2O7
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name(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
SMILESCOc1ccc(OC)c([C@H]2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1
InChIInChI=1S/C26H30N2O7/c1-32-19-7-9-22(33-2)20(17-19)24-23(21(29)8-6-18-5-3-14-35-18)25(30)26(31)28(24)11-4-10-27-12-15-34-16-13-27/h3,5-9,14,17,24,30H,4,10-13,15-16H2,1-2H3/b8-6+/t24-/m0/s1
InChIKeyFKKGBLFECWKHSM-YFTVHVBSSA-N
XLogP3.00
TPSA101.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
(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
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 6226619
(2R)-2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1333120
2-(4-fluorophenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4901422
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 71962865
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
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
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-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 6225387
2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 18829093
(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1323791

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(OC)c([C@H]2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1.
What is the InChIKey of (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?
The InChIKey is FKKGBLFECWKHSM-YFTVHVBSSA-N. The full InChI is InChI=1S/C26H30N2O7/c1-32-19-7-9-22(33-2)20(17-19)24-23(21(29)8-6-18-5-3-14-35-18)25(30)26(31)28(24)11-4-10-27-12-15-34-16-13-27/h3,5-9,14,17,24,30H,4,10-13,15-16H2,1-2H3/b8-6+/t24-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 482.53 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 28746976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).