(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate

C15H19NO2 — CID 10421982

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate
SMILESCN1C2CCCC1C(OC(=O)c1ccccc1)C2
InChIInChI=1S/C15H19NO2/c1-16-12-8-5-9-13(16)14(10-12)18-15(17)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyARWACDLWRNGONO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.47
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate

(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate (PubChem CID 10421982) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate
PubChem CID10421982
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate
SMILESCN1C2CCCC1C(OC(=O)c1ccccc1)C2
InChIInChI=1S/C15H19NO2/c1-16-12-8-5-9-13(16)14(10-12)18-15(17)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyARWACDLWRNGONO-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate (CID 10421982) is (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate is CN1C2CCCC1C(OC(=O)c1ccccc1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate?
The InChIKey is ARWACDLWRNGONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-12-8-5-9-13(16)14(10-12)18-15(17)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate?
(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate has a molecular weight of 245.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate is sourced from PubChem (CID 10421982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).