1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione

C11H12N2O2 — CID 112557668

IUPAC1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N)c(N2C(=O)CCC2=O)c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5,12H2,1H3
InChIKeyOQOBFFBRVQZVLC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.23
Rot. Bonds1

About 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione

1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 112557668) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione
PubChem CID112557668
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N)c(N2C(=O)CCC2=O)c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5,12H2,1H3
InChIKeyOQOBFFBRVQZVLC-UHFFFAOYSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione (CID 112557668) is 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N)c(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is OQOBFFBRVQZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione?
1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 112557668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).