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

C10H17NO2 — CID 10035281

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate
SMILESCC(=O)OC1CC2CCCC1N2C
InChIInChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
InChIKeySEGNDTHRZAYKPQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.17
Rot. Bonds1

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

(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate (PubChem CID 10035281) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate
PubChem CID10035281
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate
SMILESCC(=O)OC1CC2CCCC1N2C
InChIInChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
InChIKeySEGNDTHRZAYKPQ-UHFFFAOYSA-N
XLogP1.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.17
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) acetate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate (CID 10035281) is (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate is CC(=O)OC1CC2CCCC1N2C.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate?
The InChIKey is SEGNDTHRZAYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate?
(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate has a molecular weight of 183.25 g/mol, XLogP of 1.17, 1 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) acetate is sourced from PubChem (CID 10035281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).