[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate

C11H17NO3 — CID 102184617

IUPAC[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate
SMILESC=C[C@H]1CC[C@H](COC(C)=O)N1C(C)=O
InChIInChI=1S/C11H17NO3/c1-4-10-5-6-11(7-15-9(3)14)12(10)8(2)13/h4,10-11H,1,5-7H2,2-3H3/t10-,11+/m0/s1
InChIKeyQMOGQAOFOODOKL-WDEREUQCSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds3

About [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate

[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate (PubChem CID 102184617) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate
PubChem CID102184617
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate
SMILESC=C[C@H]1CC[C@H](COC(C)=O)N1C(C)=O
InChIInChI=1S/C11H17NO3/c1-4-10-5-6-11(7-15-9(3)14)12(10)8(2)13/h4,10-11H,1,5-7H2,2-3H3/t10-,11+/m0/s1
InChIKeyQMOGQAOFOODOKL-WDEREUQCSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
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 [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
The IUPAC name of [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate (CID 102184617) is [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate.
What is the SMILES notation for [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
The canonical SMILES for [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate is C=C[C@H]1CC[C@H](COC(C)=O)N1C(C)=O.
What is the InChIKey of [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
The InChIKey is QMOGQAOFOODOKL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-10-5-6-11(7-15-9(3)14)12(10)8(2)13/h4,10-11H,1,5-7H2,2-3H3/t10-,11+/m0/s1.
What are the key properties of [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate has a molecular weight of 211.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate is sourced from PubChem (CID 102184617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).