(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one

C25H23NO2 — CID 51981990

IUPAC(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCCc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-2-18-13-15-21(16-14-18)23-22(20-11-7-4-8-12-20)24(27)25(28)26(23)17-19-9-5-3-6-10-19/h3-16,23,27H,2,17H2,1H3/t23-/m0/s1
InChIKeyVIKRWDXQONADCJ-QHCPKHFHSA-N
MW369.46 g/mol
LogP5.30
Rot. Bonds5

About (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one

(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one (PubChem CID 51981990) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
PubChem CID51981990
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCCc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-2-18-13-15-21(16-14-18)23-22(20-11-7-4-8-12-20)24(27)25(28)26(23)17-19-9-5-3-6-10-19/h3-16,23,27H,2,17H2,1H3/t23-/m0/s1
InChIKeyVIKRWDXQONADCJ-QHCPKHFHSA-N
XLogP5.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50773881
(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072919
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51981984
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2R)-1-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94073360
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 94073303
(2S)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072923
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one (CID 51981990) is (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one is CCc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The InChIKey is VIKRWDXQONADCJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23NO2/c1-2-18-13-15-21(16-14-18)23-22(20-11-7-4-8-12-20)24(27)25(28)26(23)17-19-9-5-3-6-10-19/h3-16,23,27H,2,17H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one has a molecular weight of 369.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 51981990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).