1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

C25H21NO6 — CID 6260499

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C25H21NO6/c1-31-21-14-17(10-12-19(21)27)23-22(20(28)11-9-16-6-3-2-4-7-16)24(29)25(30)26(23)15-18-8-5-13-32-18/h2-14,23,27,29H,15H2,1H3/b11-9+
InChIKeyNKOQGSBHIYYSRF-PKNBQFBNSA-N
MW431.44 g/mol
LogP4.17
Rot. Bonds7

About 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (PubChem CID 6260499) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
PubChem CID6260499
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C25H21NO6/c1-31-21-14-17(10-12-19(21)27)23-22(20(28)11-9-16-6-3-2-4-7-16)24(29)25(30)26(23)15-18-8-5-13-32-18/h2-14,23,27,29H,15H2,1H3/b11-9+
InChIKeyNKOQGSBHIYYSRF-PKNBQFBNSA-N
XLogP4.17
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
4-(2-Furoyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934348
Furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148134
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(furan-2-yl)methanone
CID 751492
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 4780468
2-(4-acetylphenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone
CID 16317493
4-Acetyl-5-benzo[1,3]dioxol-5-yl-1-furan-2-ylmethyl-3-hydroxy-1,5-dihydro-pyrrol-2-one
CID 557217
(4E)-5-(3,4-dimethoxyphenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 652689
N-(4-hydroxy-3-methoxybenzyl)-N-(4-methylphenyl)-2-furamide
CID 753712
3-Acetyl-2-(2-furyl)-4-hydroxy-5-oxo-1-benzyl-3-pyrroline
CID 653772
4-((1E)-3-{3-(2-hydroxyethyl)-4-[(5-methyl-2-furyl)methyl]piperazin-1-yl}prop-1-en-1-yl)-2-methoxyphenol
CID 16189495
4-Acetyl-1-furan-2-ylmethyl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one
CID 646898

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one (CID 6260499) is 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is COc1cc(C2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
The InChIKey is NKOQGSBHIYYSRF-PKNBQFBNSA-N. The full InChI is InChI=1S/C25H21NO6/c1-31-21-14-17(10-12-19(21)27)23-22(20(28)11-9-16-6-3-2-4-7-16)24(29)25(30)26(23)15-18-8-5-13-32-18/h2-14,23,27,29H,15H2,1H3/b11-9+.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one?
1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one has a molecular weight of 431.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is sourced from PubChem (CID 6260499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).