2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C11H13N3O2S — CID 5333347

IUPAC2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(N/N=C/c1cccs1)C(=O)N1CCCC1
InChIInChI=1S/C11H13N3O2S/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15)/b12-8+
InChIKeyNQYDVCNNQCWHAJ-XYOKQWHBSA-N
MW251.31 g/mol
LogP0.82
Rot. Bonds2

About 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5333347) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5333347
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(N/N=C/c1cccs1)C(=O)N1CCCC1
InChIInChI=1S/C11H13N3O2S/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15)/b12-8+
InChIKeyNQYDVCNNQCWHAJ-XYOKQWHBSA-N
XLogP0.82
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 5333347) is 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(N/N=C/c1cccs1)C(=O)N1CCCC1.
What is the InChIKey of 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is NQYDVCNNQCWHAJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-10(11(16)14-5-1-2-6-14)13-12-8-9-4-3-7-17-9/h3-4,7-8H,1-2,5-6H2,(H,13,15)/b12-8+.
What are the key properties of 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-pyrrolidin-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5333347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).