1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione

C16H21NO3 — CID 65301431

IUPAC1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCc1ccc(C(O)CN2C(=O)CC(C)(C)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-4-11-5-7-12(8-6-11)13(18)10-17-14(19)9-16(2,3)15(17)20/h5-8,13,18H,4,9-10H2,1-3H3
InChIKeyWWHMTRNPNFVQPP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65301431) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65301431
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCCc1ccc(C(O)CN2C(=O)CC(C)(C)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-4-11-5-7-12(8-6-11)13(18)10-17-14(19)9-16(2,3)15(17)20/h5-8,13,18H,4,9-10H2,1-3H3
InChIKeyWWHMTRNPNFVQPP-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.07
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-[2-hydroxy-2-(4-propylphenyl)ethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301285
1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79040413
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181723
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,3-diethylpyrrolidine-2,5-dione
CID 42955368
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 65301960
2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
CID 65282317
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
3,3-dimethyl-1-[2-(methylamino)propyl]pyrrolidine-2,5-dione
CID 65301272
1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297333
1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301564

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65301431) is 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione is CCc1ccc(C(O)CN2C(=O)CC(C)(C)C2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is WWHMTRNPNFVQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-11-5-7-12(8-6-11)13(18)10-17-14(19)9-16(2,3)15(17)20/h5-8,13,18H,4,9-10H2,1-3H3.
What are the key properties of 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65301431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).