3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one

C22H23NO6 — CID 110276543

IUPAC3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2C)cc1OC
InChIInChI=1S/C22H23NO6/c1-4-11-29-17-10-7-14(13-18(17)27-3)20-19(21(25)22(26)23(20)2)16(24)9-8-15-6-5-12-28-15/h5-10,12-13,20,25H,4,11H2,1-3H3/b9-8+
InChIKeyOPDXKQGYCVSIPB-CMDGGOBGSA-N
MW397.43 g/mol
LogP3.68
Rot. Bonds8

About 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one (PubChem CID 110276543) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one
PubChem CID110276543
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2C)cc1OC
InChIInChI=1S/C22H23NO6/c1-4-11-29-17-10-7-14(13-18(17)27-3)20-19(21(25)22(26)23(20)2)16(24)9-8-15-6-5-12-28-15/h5-10,12-13,20,25H,4,11H2,1-3H3/b9-8+
InChIKeyOPDXKQGYCVSIPB-CMDGGOBGSA-N
XLogP3.68
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-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

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-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one
CID 4912506
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
2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 110276513
2-(4-butoxy-3-ethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6190193
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 71962865
1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one
CID 3440067
1-(furan-2-ylmethyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6260499
4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-(2-phenylethyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697610
1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6189797
2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4711413
3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one
CID 4637842

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one (CID 110276543) is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2C)cc1OC.
What is the InChIKey of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one?
The InChIKey is OPDXKQGYCVSIPB-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H23NO6/c1-4-11-29-17-10-7-14(13-18(17)27-3)20-19(21(25)22(26)23(20)2)16(24)9-8-15-6-5-12-28-15/h5-10,12-13,20,25H,4,11H2,1-3H3/b9-8+.
What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one?
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one has a molecular weight of 397.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 110276543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).