4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C22H25NO5 — CID 2917934

IUPAC4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C22H25NO5/c1-13(2)15-6-8-16(9-7-15)19-18(20(24)17-10-5-14(3)28-17)21(25)22(26)23(19)11-12-27-4/h5-10,13,19,25H,11-12H2,1-4H3
InChIKeyWLTHUQMGCJTGJV-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.94
Rot. Bonds7

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

4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 2917934) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID2917934
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C22H25NO5/c1-13(2)15-6-8-16(9-7-15)19-18(20(24)17-10-5-14(3)28-17)21(25)22(26)23(19)11-12-27-4/h5-10,13,19,25H,11-12H2,1-4H3
InChIKeyWLTHUQMGCJTGJV-UHFFFAOYSA-N
XLogP3.94
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 2917934) is 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(C(C)C)cc1.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is WLTHUQMGCJTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-13(2)15-6-8-16(9-7-15)19-18(20(24)17-10-5-14(3)28-17)21(25)22(26)23(19)11-12-27-4/h5-10,13,19,25H,11-12H2,1-4H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 383.44 g/mol, XLogP of 3.94, 7 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-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2917934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).