ethenyl pyrrolidine-2-carboxylate

C7H11NO2 — CID 77217277

IUPACethenyl pyrrolidine-2-carboxylate
SMILESC=COC(=O)C1CCCN1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h2,6,8H,1,3-5H2
InChIKeyXSWFWWOKRBINRI-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds2

About ethenyl pyrrolidine-2-carboxylate

ethenyl pyrrolidine-2-carboxylate (PubChem CID 77217277) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is ethenyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethenyl pyrrolidine-2-carboxylate
PubChem CID77217277
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameethenyl pyrrolidine-2-carboxylate
SMILESC=COC(=O)C1CCCN1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h2,6,8H,1,3-5H2
InChIKeyXSWFWWOKRBINRI-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethenyl pyrrolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
CID 123220286
CID 123220286
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
CID 175049313
CID 175049313
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284

Frequently Asked Questions

What is the IUPAC name of ethenyl pyrrolidine-2-carboxylate?
The IUPAC name of ethenyl pyrrolidine-2-carboxylate (CID 77217277) is ethenyl pyrrolidine-2-carboxylate.
What is the SMILES notation for ethenyl pyrrolidine-2-carboxylate?
The canonical SMILES for ethenyl pyrrolidine-2-carboxylate is C=COC(=O)C1CCCN1.
What is the InChIKey of ethenyl pyrrolidine-2-carboxylate?
The InChIKey is XSWFWWOKRBINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h2,6,8H,1,3-5H2.
What are the key properties of ethenyl pyrrolidine-2-carboxylate?
ethenyl pyrrolidine-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 77217277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).