2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

C12H14N2O2 — CID 781884

IUPAC2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)/t10-/m1/s1
InChIKeyLYONXVJRBWWGQO-SNVBAGLBSA-N
MW218.26 g/mol
LogP0.49
Rot. Bonds3

About 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 781884) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID781884
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)/t10-/m1/s1
InChIKeyLYONXVJRBWWGQO-SNVBAGLBSA-N
XLogP0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (CID 781884) is 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is NC(=O)CN1C[C@H](c2ccccc2)CC1=O.
What is the InChIKey of 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is LYONXVJRBWWGQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)/t10-/m1/s1.
What are the key properties of 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 781884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).