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

C11H11FN2O2 — CID 63257947

IUPAC1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2cc(F)ccc2N)C1=O
InChIInChI=1S/C11H11FN2O2/c1-6-4-10(15)14(11(6)16)9-5-7(12)2-3-8(9)13/h2-3,5-6H,4,13H2,1H3
InChIKeyTVVKDKQVLJOXER-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.31
Rot. Bonds1

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

1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 63257947) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID63257947
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2cc(F)ccc2N)C1=O
InChIInChI=1S/C11H11FN2O2/c1-6-4-10(15)14(11(6)16)9-5-7(12)2-3-8(9)13/h2-3,5-6H,4,13H2,1H3
InChIKeyTVVKDKQVLJOXER-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.31
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-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione (CID 63257947) is 1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(c2cc(F)ccc2N)C1=O.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is TVVKDKQVLJOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-6-4-10(15)14(11(6)16)9-5-7(12)2-3-8(9)13/h2-3,5-6H,4,13H2,1H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 222.22 g/mol, XLogP of 1.31, 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-fluorophenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 63257947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).