4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one

C21H27NO5 — CID 108664587

IUPAC4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2CCOC)c1
InChIInChI=1S/C21H27NO5/c1-5-10-27-16-8-6-7-15(13-16)19-18(17(23)12-14(2)3)20(24)21(25)22(19)9-11-26-4/h5-8,13-14,19,24H,1,9-12H2,2-4H3
InChIKeySGTBPJDOBQTZPM-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.21
Rot. Bonds10

About 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108664587) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
PubChem CID108664587
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2CCOC)c1
InChIInChI=1S/C21H27NO5/c1-5-10-27-16-8-6-7-15(13-16)19-18(17(23)12-14(2)3)20(24)21(25)22(19)9-11-26-4/h5-8,13-14,19,24H,1,9-12H2,2-4H3
InChIKeySGTBPJDOBQTZPM-UHFFFAOYSA-N
XLogP3.21
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108612096
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
CID 108613971
4-hydroxy-3-(3-phenylpropanoyl)-2-(3-prop-2-enoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664760
2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859915
4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108613192
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108666217
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 7274639
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-pentyl-2H-pyrrol-5-one
CID 108648628
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
CID 108664571
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 3147555
4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108578233
2-(3-ethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3421860

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one (CID 108664587) is 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one is C=CCOc1cccc(C2C(C(=O)CC(C)C)=C(O)C(=O)N2CCOC)c1.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is SGTBPJDOBQTZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-5-10-27-16-8-6-7-15(13-16)19-18(17(23)12-14(2)3)20(24)21(25)22(19)9-11-26-4/h5-8,13-14,19,24H,1,9-12H2,2-4H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 373.45 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-3-(3-methylbutanoyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108664587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).