ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate

C8H11NO4 — CID 67572682

IUPACethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
SMILESC=COC(=O)C(O)N1CCCC1=O
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)7(11)9-5-3-4-6(9)10/h2,7,11H,1,3-5H2
InChIKeyCDMMQNBHHNDTKY-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.39
Rot. Bonds3

About ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate

ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate (PubChem CID 67572682) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
PubChem CID67572682
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
SMILESC=COC(=O)C(O)N1CCCC1=O
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)7(11)9-5-3-4-6(9)10/h2,7,11H,1,3-5H2
InChIKeyCDMMQNBHHNDTKY-UHFFFAOYSA-N
XLogP-0.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate 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 ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate (CID 67572682) is ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate is C=COC(=O)C(O)N1CCCC1=O.
What is the InChIKey of ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
The InChIKey is CDMMQNBHHNDTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-13-8(12)7(11)9-5-3-4-6(9)10/h2,7,11H,1,3-5H2.
What are the key properties of ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate has a molecular weight of 185.18 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 67572682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).