(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate

C10H15NO2 — CID 73178589

IUPAC(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate
SMILESCC(=O)OC1CC2C=CC(C1)N2C
InChIInChI=1S/C10H15NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h3-4,8-10H,5-6H2,1-2H3
InChIKeyXVCJZEFEPLMMNK-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds1

About (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate

(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate (PubChem CID 73178589) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate
PubChem CID73178589
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate
SMILESCC(=O)OC1CC2C=CC(C1)N2C
InChIInChI=1S/C10H15NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h3-4,8-10H,5-6H2,1-2H3
InChIKeyXVCJZEFEPLMMNK-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate (CID 73178589) is (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate is CC(=O)OC1CC2C=CC(C1)N2C.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate?
The InChIKey is XVCJZEFEPLMMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h3-4,8-10H,5-6H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate?
(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) acetate has a molecular weight of 181.23 g/mol, XLogP of 0.95, 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]oct-6-en-3-yl) acetate is sourced from PubChem (CID 73178589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).