[(3R)-1-benzylpyrrolidin-3-yl] acetate

C13H17NO2 — CID 10104835

IUPAC[(3R)-1-benzylpyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17NO2/c1-11(15)16-13-7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3/t13-/m1/s1
InChIKeyWAZGGSCOYCPXGS-CYBMUJFWSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds3

About [(3R)-1-benzylpyrrolidin-3-yl] acetate

[(3R)-1-benzylpyrrolidin-3-yl] acetate (PubChem CID 10104835) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [(3R)-1-benzylpyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-benzylpyrrolidin-3-yl] acetate
PubChem CID10104835
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[(3R)-1-benzylpyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17NO2/c1-11(15)16-13-7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3/t13-/m1/s1
InChIKeyWAZGGSCOYCPXGS-CYBMUJFWSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzylpyrrolidin-3-yl] acetate?
The IUPAC name of [(3R)-1-benzylpyrrolidin-3-yl] acetate (CID 10104835) is [(3R)-1-benzylpyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3R)-1-benzylpyrrolidin-3-yl] acetate?
The canonical SMILES for [(3R)-1-benzylpyrrolidin-3-yl] acetate is CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of [(3R)-1-benzylpyrrolidin-3-yl] acetate?
The InChIKey is WAZGGSCOYCPXGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(15)16-13-7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-1-benzylpyrrolidin-3-yl] acetate?
[(3R)-1-benzylpyrrolidin-3-yl] acetate has a molecular weight of 219.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzylpyrrolidin-3-yl] acetate is sourced from PubChem (CID 10104835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).