(1-benzylpyrrolidin-3-yl) acetate

C13H17NO2 — CID 15623662

IUPAC(1-benzylpyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CCN(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
InChIKeyWAZGGSCOYCPXGS-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds3

About (1-benzylpyrrolidin-3-yl) acetate

(1-benzylpyrrolidin-3-yl) acetate (PubChem CID 15623662) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl) acetate.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl) acetate
PubChem CID15623662
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1-benzylpyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CCN(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
InChIKeyWAZGGSCOYCPXGS-UHFFFAOYSA-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 (1-benzylpyrrolidin-3-yl) acetate?
The IUPAC name of (1-benzylpyrrolidin-3-yl) acetate (CID 15623662) is (1-benzylpyrrolidin-3-yl) acetate.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl) acetate?
The canonical SMILES for (1-benzylpyrrolidin-3-yl) acetate is CC(=O)OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl) acetate?
The InChIKey is WAZGGSCOYCPXGS-UHFFFAOYSA-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.
What are the key properties of (1-benzylpyrrolidin-3-yl) acetate?
(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 (1-benzylpyrrolidin-3-yl) acetate is sourced from PubChem (CID 15623662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).