ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

C10H15NO2 — CID 10583555

IUPACethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
SMILESCCOC(=O)N1[C@@H]2C=C[C@H]1CCC2
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)11-8-4-3-5-9(11)7-6-8/h6-9H,2-5H2,1H3/t8-,9+
InChIKeyNDZATHOMQXKCAU-DTORHVGOSA-N
MW181.23 g/mol
LogP1.94
Rot. Bonds1

About ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate (PubChem CID 10583555) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
PubChem CID10583555
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
SMILESCCOC(=O)N1[C@@H]2C=C[C@H]1CCC2
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)11-8-4-3-5-9(11)7-6-8/h6-9H,2-5H2,1H3/t8-,9+
InChIKeyNDZATHOMQXKCAU-DTORHVGOSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate 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 ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
The IUPAC name of ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate (CID 10583555) is ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate.
What is the SMILES notation for ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
The canonical SMILES for ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate is CCOC(=O)N1[C@@H]2C=C[C@H]1CCC2.
What is the InChIKey of ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
The InChIKey is NDZATHOMQXKCAU-DTORHVGOSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-13-10(12)11-8-4-3-5-9(11)7-6-8/h6-9H,2-5H2,1H3/t8-,9+.
What are the key properties of ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate?
ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,5S)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate is sourced from PubChem (CID 10583555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).