4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one

C12H16N2O2 — CID 154983197

IUPAC4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C2NC(=O)C(C)C2N)cc1
InChIInChI=1S/C12H16N2O2/c1-7-10(13)11(14-12(7)15)8-3-5-9(16-2)6-4-8/h3-7,10-11H,13H2,1-2H3,(H,14,15)
InChIKeyKKBUDFFXUHIHSJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.83
Rot. Bonds2

About 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one

4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 154983197) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID154983197
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C2NC(=O)C(C)C2N)cc1
InChIInChI=1S/C12H16N2O2/c1-7-10(13)11(14-12(7)15)8-3-5-9(16-2)6-4-8/h3-7,10-11H,13H2,1-2H3,(H,14,15)
InChIKeyKKBUDFFXUHIHSJ-UHFFFAOYSA-N
XLogP0.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 154983197) is 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1ccc(C2NC(=O)C(C)C2N)cc1.
What is the InChIKey of 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is KKBUDFFXUHIHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-10(13)11(14-12(7)15)8-3-5-9(16-2)6-4-8/h3-7,10-11H,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one?
4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 154983197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).