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

C13H16N2O2 — CID 82159012

IUPAC3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C13H16N2O2/c1-8-3-4-9(2)10(5-8)7-15-12(16)6-11(14)13(15)17/h3-5,11H,6-7,14H2,1-2H3
InChIKeyPIEQLLWKEBTZHU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds2

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

3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 82159012) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID82159012
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C13H16N2O2/c1-8-3-4-9(2)10(5-8)7-15-12(16)6-11(14)13(15)17/h3-5,11H,6-7,14H2,1-2H3
InChIKeyPIEQLLWKEBTZHU-UHFFFAOYSA-N
XLogP0.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.89
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-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
CID 82159469
1-[(2,5-dimethylphenyl)methyl]piperazine-2,6-dione
CID 66062258
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9360457
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168702646
6-amino-4-[(2,5-dimethylphenyl)methyl]-1,4-benzoxazin-3-one
CID 61482029
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
(5R)-5-cyclohexyl-3-[(2,5-dimethylphenyl)methyl]imidazolidine-2,4-dione
CID 2662586
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
5-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896312
1-[(2,5-dimethylphenyl)methyl]-2-oxopiperidine-4-carbonitrile
CID 116838001
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (CID 82159012) is 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(C)c(CN2C(=O)CC(N)C2=O)c1.
What is the InChIKey of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is PIEQLLWKEBTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-4-9(2)10(5-8)7-15-12(16)6-11(14)13(15)17/h3-5,11H,6-7,14H2,1-2H3.
What are the key properties of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 82159012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).