bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate

C12H17NO4 — CID 91721522

IUPACbis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)C1CCCN1C(=O)OCC=C
InChIInChI=1S/C12H17NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h3-4,10H,1-2,5-9H2
InChIKeyQYFSHFUECLCTOS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.50
Rot. Bonds5

About bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate

bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate (PubChem CID 91721522) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate
PubChem CID91721522
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namebis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)C1CCCN1C(=O)OCC=C
InChIInChI=1S/C12H17NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h3-4,10H,1-2,5-9H2
InChIKeyQYFSHFUECLCTOS-UHFFFAOYSA-N
XLogP1.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate (CID 91721522) is bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate is C=CCOC(=O)C1CCCN1C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate?
The InChIKey is QYFSHFUECLCTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-8-16-11(14)10-6-5-7-13(10)12(15)17-9-4-2/h3-4,10H,1-2,5-9H2.
What are the key properties of bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate?
bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 91721522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).