3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one

C21H23NO6 — CID 108620962

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC(C)C
InChIInChI=1S/C21H23NO6/c1-13(2)28-15-8-5-4-7-14(15)18-17(19(23)16-9-6-11-27-16)20(24)21(25)22(18)10-12-26-3/h4-9,11,13,18,24H,10,12H2,1-3H3
InChIKeyINZHIVLPMGSZTP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.29
Rot. Bonds8

About 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one (PubChem CID 108620962) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
PubChem CID108620962
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC(C)C
InChIInChI=1S/C21H23NO6/c1-13(2)28-15-8-5-4-7-14(15)18-17(19(23)16-9-6-11-27-16)20(24)21(25)22(18)10-12-26-3/h4-9,11,13,18,24H,10,12H2,1-3H3
InChIKeyINZHIVLPMGSZTP-UHFFFAOYSA-N
XLogP3.29
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108621136
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 46949084
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108586001
3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108614627
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7371665
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 7432209
4-hydroxy-1-(3-methoxypropyl)-3-(3-phenylpropanoyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108585927
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 2917899
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108661487
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 3147555
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108612179
2-[(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7368335

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one (CID 108620962) is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one is COCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC(C)C.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The InChIKey is INZHIVLPMGSZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-13(2)28-15-8-5-4-7-14(15)18-17(19(23)16-9-6-11-27-16)20(24)21(25)22(18)10-12-26-3/h4-9,11,13,18,24H,10,12H2,1-3H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one has a molecular weight of 385.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108620962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).