1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione

C13H16N2O2 — CID 65298123

IUPAC1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCc1c(N)cccc1N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C13H16N2O2/c1-8-9(14)5-4-6-10(8)15-11(16)7-13(2,3)12(15)17/h4-6H,7,14H2,1-3H3
InChIKeyZFJFIJGSSYHUAZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.87
Rot. Bonds1

About 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione

1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65298123) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65298123
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCc1c(N)cccc1N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C13H16N2O2/c1-8-9(14)5-4-6-10(8)15-11(16)7-13(2,3)12(15)17/h4-6H,7,14H2,1-3H3
InChIKeyZFJFIJGSSYHUAZ-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methylphenyl)succinimide
CID 75335
N-(3-amino-4-methylphenyl)acetamide
CID 22865
2-Acetylamino-4-aminotoluene
CID 79492
1-(3-Methylphenyl)pyrrolidine-2,5-dione
CID 5150707
2,4-Diacetylaminotoluene
CID 94871
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3354062
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-methylphenyl)butanamide
CID 6464187
N-(2-Methylphenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24818661
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651502
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
2-Methylene-N-(m-tolyl)-succinimide
CID 99442
N-(O-Tolyl)succinimide
CID 4575629

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 65298123) is 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione is Cc1c(N)cccc1N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is ZFJFIJGSSYHUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-9(14)5-4-6-10(8)15-11(16)7-13(2,3)12(15)17/h4-6H,7,14H2,1-3H3.
What are the key properties of 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65298123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).