8-azabicyclo[3.2.1]octan-6-yl benzoate

C14H17NO2 — CID 10105296

IUPAC8-azabicyclo[3.2.1]octan-6-yl benzoate
SMILESO=C(OC1CC2CCCC1N2)c1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(10-5-2-1-3-6-10)17-13-9-11-7-4-8-12(13)15-11/h1-3,5-6,11-13,15H,4,7-9H2
InChIKeyAKLGENRCHBXEKW-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.13
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-6-yl benzoate

8-azabicyclo[3.2.1]octan-6-yl benzoate (PubChem CID 10105296) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-6-yl benzoate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-6-yl benzoate
PubChem CID10105296
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name8-azabicyclo[3.2.1]octan-6-yl benzoate
SMILESO=C(OC1CC2CCCC1N2)c1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(10-5-2-1-3-6-10)17-13-9-11-7-4-8-12(13)15-11/h1-3,5-6,11-13,15H,4,7-9H2
InChIKeyAKLGENRCHBXEKW-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-azabicyclo[3.2.1]octan-6-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 8-azabicyclo[3.2.1]octan-6-yl benzoate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-6-yl benzoate (CID 10105296) is 8-azabicyclo[3.2.1]octan-6-yl benzoate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-6-yl benzoate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-6-yl benzoate is O=C(OC1CC2CCCC1N2)c1ccccc1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-6-yl benzoate?
The InChIKey is AKLGENRCHBXEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(10-5-2-1-3-6-10)17-13-9-11-7-4-8-12(13)15-11/h1-3,5-6,11-13,15H,4,7-9H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-6-yl benzoate?
8-azabicyclo[3.2.1]octan-6-yl benzoate has a molecular weight of 231.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-6-yl benzoate is sourced from PubChem (CID 10105296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).