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

C12H14N2O2 — CID 61037932

IUPAC1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCc1c(N)cccc1N1C(=O)CC(C)C1=O
InChIInChI=1S/C12H14N2O2/c1-7-6-11(15)14(12(7)16)10-5-3-4-9(13)8(10)2/h3-5,7H,6,13H2,1-2H3
InChIKeyPTIVTESSPBRKRB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.48
Rot. Bonds1

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

1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61037932) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID61037932
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCc1c(N)cccc1N1C(=O)CC(C)C1=O
InChIInChI=1S/C12H14N2O2/c1-7-6-11(15)14(12(7)16)10-5-3-4-9(13)8(10)2/h3-5,7H,6,13H2,1-2H3
InChIKeyPTIVTESSPBRKRB-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione (CID 61037932) is 1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione is Cc1c(N)cccc1N1C(=O)CC(C)C1=O.
What is the InChIKey of 1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is PTIVTESSPBRKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-6-11(15)14(12(7)16)10-5-3-4-9(13)8(10)2/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione?
1-(3-amino-2-methylphenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 218.26 g/mol, XLogP of 1.48, 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61037932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).