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

C24H23N3O5 — CID 6225387

IUPAC3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)/C=C/c2ccco2)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C24H23N3O5/c1-31-20-8-3-2-7-18(20)22-21(19(28)10-9-17-6-4-15-32-17)23(29)24(30)27(22)13-5-12-26-14-11-25-16-26/h2-4,6-11,14-16,22,29H,5,12-13H2,1H3/b10-9+
InChIKeyBXKKAICRFSEOJG-MDZDMXLPSA-N
MW433.46 g/mol
LogP3.55
Rot. Bonds9

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

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 6225387) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID6225387
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)/C=C/c2ccco2)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C24H23N3O5/c1-31-20-8-3-2-7-18(20)22-21(19(28)10-9-17-6-4-15-32-17)23(29)24(30)27(22)13-5-12-26-14-11-25-16-26/h2-4,6-11,14-16,22,29H,5,12-13H2,1H3/b10-9+
InChIKeyBXKKAICRFSEOJG-MDZDMXLPSA-N
XLogP3.55
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.55
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-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 6225710
2-(4-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 6222050
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 18829328
2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 2927123
(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
1-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one
CID 4898218
1-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one
CID 6226567
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 1112620
2-(4-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697474
6-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoic acid
CID 5346678
4-[(2R)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate
CID 7430641
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 780369

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 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) is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)/C=C/c2ccco2)=C(O)C(=O)N1CCCn1ccnc1.
What is the InChIKey of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is BXKKAICRFSEOJG-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-31-20-8-3-2-7-18(20)22-21(19(28)10-9-17-6-4-15-32-17)23(29)24(30)27(22)13-5-12-26-14-11-25-16-26/h2-4,6-11,14-16,22,29H,5,12-13H2,1H3/b10-9+.
What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 433.46 g/mol, XLogP of 3.55, 9 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-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 6225387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).