2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C21H23NO4 — CID 75793895

IUPAC2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(C)C2c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C21H23NO4/c1-12-6-11-15(26-12)18(23)16-17(22(5)20(25)19(16)24)13-7-9-14(10-8-13)21(2,3)4/h6-11,17,24H,1-5H3
InChIKeyRXCWLOWJGWRUBN-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.09
Rot. Bonds3

About 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 75793895) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID75793895
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(C)C2c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C21H23NO4/c1-12-6-11-15(26-12)18(23)16-17(22(5)20(25)19(16)24)13-7-9-14(10-8-13)21(2,3)4/h6-11,17,24H,1-5H3
InChIKeyRXCWLOWJGWRUBN-UHFFFAOYSA-N
XLogP4.09
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3147634
4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 75793943
4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 75793923
2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 4630763
2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one
CID 4747533
2-(2,5-dimethoxyphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 75793931
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7182905
4-hydroxy-2-(4-methoxyphenyl)-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 2917712
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
CID 7082696
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7182545
2-[(2R)-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 6997090
(2S)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 27305556

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 75793895) is 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(C)C2c2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is RXCWLOWJGWRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-12-6-11-15(26-12)18(23)16-17(22(5)20(25)19(16)24)13-7-9-14(10-8-13)21(2,3)4/h6-11,17,24H,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 353.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).