1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione

C12H14N2O2 — CID 62100322

IUPAC1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(N)c(N2C(=O)CCC2=O)cc1C
InChIInChI=1S/C12H14N2O2/c1-7-5-9(13)10(6-8(7)2)14-11(15)3-4-12(14)16/h5-6H,3-4,13H2,1-2H3
InChIKeyCMBSMFDDOZDMOW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.54
Rot. Bonds1

About 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione

1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 62100322) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID62100322
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(N)c(N2C(=O)CCC2=O)cc1C
InChIInChI=1S/C12H14N2O2/c1-7-5-9(13)10(6-8(7)2)14-11(15)3-4-12(14)16/h5-6H,3-4,13H2,1-2H3
InChIKeyCMBSMFDDOZDMOW-UHFFFAOYSA-N
XLogP1.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.54
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-4,5-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione (CID 62100322) is 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione is Cc1cc(N)c(N2C(=O)CCC2=O)cc1C.
What is the InChIKey of 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is CMBSMFDDOZDMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-5-9(13)10(6-8(7)2)14-11(15)3-4-12(14)16/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione?
1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 218.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 62100322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).