prop-2-enyl 1-methylpyrrolidine-3-carboxylate

C9H15NO2 — CID 58293337

IUPACprop-2-enyl 1-methylpyrrolidine-3-carboxylate
SMILESC=CCOC(=O)C1CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-3-6-12-9(11)8-4-5-10(2)7-8/h3,8H,1,4-7H2,2H3
InChIKeyGKKACCYIZJSUQM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.67
Rot. Bonds3

About prop-2-enyl 1-methylpyrrolidine-3-carboxylate

prop-2-enyl 1-methylpyrrolidine-3-carboxylate (PubChem CID 58293337) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is prop-2-enyl 1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-methylpyrrolidine-3-carboxylate
PubChem CID58293337
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameprop-2-enyl 1-methylpyrrolidine-3-carboxylate
SMILESC=CCOC(=O)C1CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-3-6-12-9(11)8-4-5-10(2)7-8/h3,8H,1,4-7H2,2H3
InChIKeyGKKACCYIZJSUQM-UHFFFAOYSA-N
XLogP0.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 prop-2-enyl 1-methylpyrrolidine-3-carboxylate?
The IUPAC name of prop-2-enyl 1-methylpyrrolidine-3-carboxylate (CID 58293337) is prop-2-enyl 1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for prop-2-enyl 1-methylpyrrolidine-3-carboxylate is C=CCOC(=O)C1CCN(C)C1.
What is the InChIKey of prop-2-enyl 1-methylpyrrolidine-3-carboxylate?
The InChIKey is GKKACCYIZJSUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-6-12-9(11)8-4-5-10(2)7-8/h3,8H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl 1-methylpyrrolidine-3-carboxylate?
prop-2-enyl 1-methylpyrrolidine-3-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 58293337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).