3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione

C14H18N2O2 — CID 82159469

IUPAC3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(CCN2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C14H18N2O2/c1-9-3-4-10(2)11(7-9)5-6-16-13(17)8-12(15)14(16)18/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyHYWIUAHTNLHKKF-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.93
Rot. Bonds3

About 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione

3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 82159469) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
PubChem CID82159469
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(CCN2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C14H18N2O2/c1-9-3-4-10(2)11(7-9)5-6-16-13(17)8-12(15)14(16)18/h3-4,7,12H,5-6,8,15H2,1-2H3
InChIKeyHYWIUAHTNLHKKF-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.93
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

3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159012
1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130522
1-[2-(2,4-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130524
1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82485246
1-[(2,5-dimethylphenyl)methyl]piperazine-2,6-dione
CID 66062258
4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82159582
3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane
CID 161281215
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168702646
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
(2,5-dimethylphenyl)methyl 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 42899088

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione (CID 82159469) is 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione is Cc1ccc(C)c(CCN2C(=O)CC(N)C2=O)c1.
What is the InChIKey of 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is HYWIUAHTNLHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-3-4-10(2)11(7-9)5-6-16-13(17)8-12(15)14(16)18/h3-4,7,12H,5-6,8,15H2,1-2H3.
What are the key properties of 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 82159469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).