1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione

C16H21NO3 — CID 106146031

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
SMILESCC(C)(CCO)CN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H21NO3/c1-16(2,8-9-18)11-17-14(19)10-13(15(17)20)12-6-4-3-5-7-12/h3-7,13,18H,8-11H2,1-2H3
InChIKeyBJDUJNRCUMAHDG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione

1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 106146031) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID106146031
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
SMILESCC(C)(CCO)CN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H21NO3/c1-16(2,8-9-18)11-17-14(19)10-13(15(17)20)12-6-4-3-5-7-12/h3-7,13,18H,8-11H2,1-2H3
InChIKeyBJDUJNRCUMAHDG-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
CID 106288752
1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61349210
(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 98101275
1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 81134502
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9279325
3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
CID 63622899
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione
CID 51513036
3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
CID 60976711
2-[3-(4-bromophenyl)-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 82095143
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione
CID 106159464

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione (CID 106146031) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione is CC(C)(CCO)CN1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is BJDUJNRCUMAHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,8-9-18)11-17-14(19)10-13(15(17)20)12-6-4-3-5-7-12/h3-7,13,18H,8-11H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione?
1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 106146031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).