2-(4-phenylpyrrolidin-3-yl)acetate

C12H14NO2- — CID 71775839

IUPAC2-(4-phenylpyrrolidin-3-yl)acetate
SMILESO=C([O-])CC1CNCC1c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(15)6-10-7-13-8-11(10)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/p-1
InChIKeyYOEUQVKLAYOPBP-UHFFFAOYSA-M
MW204.25 g/mol
LogP0.13
Rot. Bonds3

About 2-(4-phenylpyrrolidin-3-yl)acetate

2-(4-phenylpyrrolidin-3-yl)acetate (PubChem CID 71775839) has the molecular formula C12H14NO2- and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(4-phenylpyrrolidin-3-yl)acetate.

Molecular Properties

Compound Name2-(4-phenylpyrrolidin-3-yl)acetate
PubChem CID71775839
Molecular FormulaC12H14NO2-
Molecular Weight204.25 g/mol
Exact Mass204.10
IUPAC Name2-(4-phenylpyrrolidin-3-yl)acetate
SMILESO=C([O-])CC1CNCC1c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(15)6-10-7-13-8-11(10)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/p-1
InChIKeyYOEUQVKLAYOPBP-UHFFFAOYSA-M
XLogP0.13
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrrolidin-3-yl)acetate?
The IUPAC name of 2-(4-phenylpyrrolidin-3-yl)acetate (CID 71775839) is 2-(4-phenylpyrrolidin-3-yl)acetate.
What is the SMILES notation for 2-(4-phenylpyrrolidin-3-yl)acetate?
The canonical SMILES for 2-(4-phenylpyrrolidin-3-yl)acetate is O=C([O-])CC1CNCC1c1ccccc1.
What is the InChIKey of 2-(4-phenylpyrrolidin-3-yl)acetate?
The InChIKey is YOEUQVKLAYOPBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO2/c14-12(15)6-10-7-13-8-11(10)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/p-1.
What are the key properties of 2-(4-phenylpyrrolidin-3-yl)acetate?
2-(4-phenylpyrrolidin-3-yl)acetate has a molecular weight of 204.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrrolidin-3-yl)acetate is sourced from PubChem (CID 71775839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).