3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one

C27H27NO4 — CID 108649440

IUPAC3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C27H27NO4/c1-2-17-12-14-18(15-13-17)24-23(25(29)22-16-19-8-6-7-11-21(19)32-22)26(30)27(31)28(24)20-9-4-3-5-10-20/h6-8,11-16,20,24,30H,2-5,9-10H2,1H3
InChIKeyCVOJOIVBUPOZTA-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.91
Rot. Bonds5

About 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108649440) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108649440
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C27H27NO4/c1-2-17-12-14-18(15-13-17)24-23(25(29)22-16-19-8-6-7-11-21(19)32-22)26(30)27(31)28(24)20-9-4-3-5-10-20/h6-8,11-16,20,24,30H,2-5,9-10H2,1H3
InChIKeyCVOJOIVBUPOZTA-UHFFFAOYSA-N
XLogP5.91
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643046
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 108581630
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108604454
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-cyclopentyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108650062
3-(1-benzofuran-2-carbonyl)-2-(4-ethylphenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 5156084
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 3487299
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
CID 108641778
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634619
3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658332
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108620483
3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108620847
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108660259

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108649440) is 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is CCc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is CVOJOIVBUPOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-2-17-12-14-18(15-13-17)24-23(25(29)22-16-19-8-6-7-11-21(19)32-22)26(30)27(31)28(24)20-9-4-3-5-10-20/h6-8,11-16,20,24,30H,2-5,9-10H2,1H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 429.52 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108649440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).