3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride

C19H20ClNO2 — CID 24747048

IUPAC3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride
SMILESCc1ccc(C)c(N2C(=O)CC(Cc3ccccc3)C2=O)c1.Cl
InChIInChI=1S/C19H19NO2.ClH/c1-13-8-9-14(2)17(10-13)20-18(21)12-16(19(20)22)11-15-6-4-3-5-7-15;/h3-10,16H,11-12H2,1-2H3;1H
InChIKeyOODDMXWQVOJPTH-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.85
Rot. Bonds3

About 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride

3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride (PubChem CID 24747048) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride
PubChem CID24747048
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride
SMILESCc1ccc(C)c(N2C(=O)CC(Cc3ccccc3)C2=O)c1.Cl
InChIInChI=1S/C19H19NO2.ClH/c1-13-8-9-14(2)17(10-13)20-18(21)12-16(19(20)22)11-15-6-4-3-5-7-15;/h3-10,16H,11-12H2,1-2H3;1H
InChIKeyOODDMXWQVOJPTH-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride (CID 24747048) is 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride is Cc1ccc(C)c(N2C(=O)CC(Cc3ccccc3)C2=O)c1.Cl.
What is the InChIKey of 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is OODDMXWQVOJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2.ClH/c1-13-8-9-14(2)17(10-13)20-18(21)12-16(19(20)22)11-15-6-4-3-5-7-15;/h3-10,16H,11-12H2,1-2H3;1H.
What are the key properties of 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride?
3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 24747048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).