methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate

C9H15NO2 — CID 25257166

IUPACmethyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate
SMILESC=CCN1CCC[C@@H]1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-6-10-7-4-5-8(10)9(11)12-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyMZCQQCAGBZDISA-MRVPVSSYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds3

About methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate

methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate (PubChem CID 25257166) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate
PubChem CID25257166
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate
SMILESC=CCN1CCC[C@@H]1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-6-10-7-4-5-8(10)9(11)12-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyMZCQQCAGBZDISA-MRVPVSSYSA-N
XLogP0.81
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 ≤ 50.81
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 methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate (CID 25257166) is methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate is C=CCN1CCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate?
The InChIKey is MZCQQCAGBZDISA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-6-10-7-4-5-8(10)9(11)12-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate?
methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-prop-2-enylpyrrolidine-2-carboxylate is sourced from PubChem (CID 25257166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).