1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C23H19NO5S — CID 3257855

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C23H19NO5S/c1-2-10-28-16-7-3-6-15(13-16)20-19(21(25)18-9-5-12-30-18)22(26)23(27)24(20)14-17-8-4-11-29-17/h2-9,11-13,20,26H,1,10,14H2
InChIKeyGIPRAVWXMZICKZ-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.68
Rot. Bonds8

About 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3257855) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3257855
Molecular FormulaC23H19NO5S
Molecular Weight421.47 g/mol
Exact Mass421.10
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C23H19NO5S/c1-2-10-28-16-7-3-6-15(13-16)20-19(21(25)18-9-5-12-30-18)22(26)23(27)24(20)14-17-8-4-11-29-17/h2-9,11-13,20,26H,1,10,14H2
InChIKeyGIPRAVWXMZICKZ-UHFFFAOYSA-N
XLogP4.68
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6995150
(2S)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28768309
(2R)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28768305
(2S)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28799342
(2S)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1295249
2-(4-ethoxy-3-methoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4633249
(2R)-2-(4-butoxy-3-ethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 9498343
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 6996751
2-(2,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4633721
1-benzyl-4-hydroxy-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3368444
(2S)-2-(3-butoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 9498438
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 40862775

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3257855) is 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is C=CCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is GIPRAVWXMZICKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-2-10-28-16-7-3-6-15(13-16)20-19(21(25)18-9-5-12-30-18)22(26)23(27)24(20)14-17-8-4-11-29-17/h2-9,11-13,20,26H,1,10,14H2.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 421.47 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3257855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).