1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one

C23H25NO3 — CID 108638815

IUPAC1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)C2c2ccccc2)c1C
InChIInChI=1S/C23H25NO3/c1-14(2)13-19(25)20-21(17-10-6-5-7-11-17)24(23(27)22(20)26)18-12-8-9-15(3)16(18)4/h5-12,14,21,26H,13H2,1-4H3
InChIKeyBVHUFIOVWIHMRZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.82
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one

1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 108638815) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID108638815
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
SMILESCc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)C2c2ccccc2)c1C
InChIInChI=1S/C23H25NO3/c1-14(2)13-19(25)20-21(17-10-6-5-7-11-17)24(23(27)22(20)26)18-12-8-9-15(3)16(18)4/h5-12,14,21,26H,13H2,1-4H3
InChIKeyBVHUFIOVWIHMRZ-UHFFFAOYSA-N
XLogP4.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658794
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108647386
4-hydroxy-3-(3-methylbutanoyl)-1-(2-methylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626900
1-(2,3-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108576139
1-(4-ethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638384
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108647473
4-hydroxy-2-(4-hydroxyphenyl)-1-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108582777
2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108581009
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108647560
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108579072
4-hydroxy-2-(4-hydroxyphenyl)-3-(3-methylbutanoyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616567
1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622879

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one (CID 108638815) is 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one is Cc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)C2c2ccccc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is BVHUFIOVWIHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-14(2)13-19(25)20-21(17-10-6-5-7-11-17)24(23(27)22(20)26)18-12-8-9-15(3)16(18)4/h5-12,14,21,26H,13H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one?
1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 363.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108638815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).