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

C21H23NO5 — CID 108621136

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC(C)C
InChIInChI=1S/C21H23NO5/c1-4-11-22-18(14-8-5-6-9-15(14)27-13(2)3)17(20(24)21(22)25)19(23)16-10-7-12-26-16/h5-10,12-13,18,24H,4,11H2,1-3H3
InChIKeyHWBAJIWOGPKZBH-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.06
Rot. Bonds7

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

3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one (PubChem CID 108621136) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one
PubChem CID108621136
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC(C)C
InChIInChI=1S/C21H23NO5/c1-4-11-22-18(14-8-5-6-9-15(14)27-13(2)3)17(20(24)21(22)25)19(23)16-10-7-12-26-16/h5-10,12-13,18,24H,4,11H2,1-3H3
InChIKeyHWBAJIWOGPKZBH-UHFFFAOYSA-N
XLogP4.06
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108620962
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108586001
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108645920
3-(furan-2-carbonyl)-4-hydroxy-2-naphthalen-1-yl-1-propyl-2H-pyrrol-5-one
CID 108637537
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 46949084
3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108614627
1-butyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108621310
2-[(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7368335
3-(furan-2-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108664504
(2S)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 7366501
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7371665
2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615487

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one (CID 108621136) is 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1OC(C)C.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one?
The InChIKey is HWBAJIWOGPKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-11-22-18(14-8-5-6-9-15(14)27-13(2)3)17(20(24)21(22)25)19(23)16-10-7-12-26-16/h5-10,12-13,18,24H,4,11H2,1-3H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one has a molecular weight of 369.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 108621136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).