5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione

C13H15NO3 — CID 146037143

IUPAC5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione
SMILESCC1(C)C(=O)C(=O)NC1Cc1ccc(O)cc1
InChIInChI=1S/C13H15NO3/c1-13(2)10(14-12(17)11(13)16)7-8-3-5-9(15)6-4-8/h3-6,10,15H,7H2,1-2H3,(H,14,17)
InChIKeyMNKCCFOQDGJSLR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.03
Rot. Bonds2

About 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione

5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione (PubChem CID 146037143) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione
PubChem CID146037143
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione
SMILESCC1(C)C(=O)C(=O)NC1Cc1ccc(O)cc1
InChIInChI=1S/C13H15NO3/c1-13(2)10(14-12(17)11(13)16)7-8-3-5-9(15)6-4-8/h3-6,10,15H,7H2,1-2H3,(H,14,17)
InChIKeyMNKCCFOQDGJSLR-UHFFFAOYSA-N
XLogP1.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-L-tyrosine
CID 68310
Cyclo(L-Pro-L-Tyr)
CID 119404
Glycyl-L-tyrosine
CID 92829
L-Alanyl-L-tyrosine
CID 92946
Tyr-Ala
CID 5496455
Val-Tyr
CID 7009555
Lys-Tyr
CID 7021820
Tyrosyl alanyl-glycyl-phenylalaninamide
CID 5490373
(S)-N-oleoyltyrosinol
CID 10410511
Leucyltyrosine
CID 70410
DL-Leu-DL-Tyr
CID 273262
Tyrosylvaline
CID 14767562

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione (CID 146037143) is 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione is CC1(C)C(=O)C(=O)NC1Cc1ccc(O)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione?
The InChIKey is MNKCCFOQDGJSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)10(14-12(17)11(13)16)7-8-3-5-9(15)6-4-8/h3-6,10,15H,7H2,1-2H3,(H,14,17).
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione?
5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione has a molecular weight of 233.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione is sourced from PubChem (CID 146037143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).