pyrrolidin-1-yl benzoate

C11H13NO2 — CID 22992933

IUPACpyrrolidin-1-yl benzoate
SMILESO=C(ON1CCCC1)c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(10-6-2-1-3-7-10)14-12-8-4-5-9-12/h1-3,6-7H,4-5,8-9H2
InChIKeyRAUHJDNJJQYPED-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.85
Rot. Bonds2

About pyrrolidin-1-yl benzoate

pyrrolidin-1-yl benzoate (PubChem CID 22992933) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is pyrrolidin-1-yl benzoate.

Molecular Properties

Compound Namepyrrolidin-1-yl benzoate
PubChem CID22992933
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namepyrrolidin-1-yl benzoate
SMILESO=C(ON1CCCC1)c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(10-6-2-1-3-7-10)14-12-8-4-5-9-12/h1-3,6-7H,4-5,8-9H2
InChIKeyRAUHJDNJJQYPED-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-1-yl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl benzoate?
The IUPAC name of pyrrolidin-1-yl benzoate (CID 22992933) is pyrrolidin-1-yl benzoate.
What is the SMILES notation for pyrrolidin-1-yl benzoate?
The canonical SMILES for pyrrolidin-1-yl benzoate is O=C(ON1CCCC1)c1ccccc1.
What is the InChIKey of pyrrolidin-1-yl benzoate?
The InChIKey is RAUHJDNJJQYPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(10-6-2-1-3-7-10)14-12-8-4-5-9-12/h1-3,6-7H,4-5,8-9H2.
What are the key properties of pyrrolidin-1-yl benzoate?
pyrrolidin-1-yl benzoate has a molecular weight of 191.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl benzoate is sourced from PubChem (CID 22992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).