2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

C13H16N2O2 — CID 24744224

IUPAC2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCC1C(=O)N(CC(N)=O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9-11(10-5-3-2-4-6-10)7-15(13(9)17)8-12(14)16/h2-6,9,11H,7-8H2,1H3,(H2,14,16)/t9?,11-/m1/s1
InChIKeyNETWUQONTQSTKS-HCCKASOXSA-N
MW232.28 g/mol
LogP0.73
Rot. Bonds3

About 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 24744224) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID24744224
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCC1C(=O)N(CC(N)=O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9-11(10-5-3-2-4-6-10)7-15(13(9)17)8-12(14)16/h2-6,9,11H,7-8H2,1H3,(H2,14,16)/t9?,11-/m1/s1
InChIKeyNETWUQONTQSTKS-HCCKASOXSA-N
XLogP0.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (CID 24744224) is 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is CC1C(=O)N(CC(N)=O)C[C@H]1c1ccccc1.
What is the InChIKey of 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is NETWUQONTQSTKS-HCCKASOXSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-11(10-5-3-2-4-6-10)7-15(13(9)17)8-12(14)16/h2-6,9,11H,7-8H2,1H3,(H2,14,16)/t9?,11-/m1/s1.
What are the key properties of 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-methyl-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 24744224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).