ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate

C10H17NO2 — CID 134857366

IUPACethyl 8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCCOC(=O)C12CCCC(CC1)N2
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10-6-3-4-8(11-10)5-7-10/h8,11H,2-7H2,1H3
InChIKeyIWLBJMMHTXGXED-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds2

About ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate

ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate (PubChem CID 134857366) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-azabicyclo[3.2.1]octane-1-carboxylate
PubChem CID134857366
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCCOC(=O)C12CCCC(CC1)N2
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10-6-3-4-8(11-10)5-7-10/h8,11H,2-7H2,1H3
InChIKeyIWLBJMMHTXGXED-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate (CID 134857366) is ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate is CCOC(=O)C12CCCC(CC1)N2.
What is the InChIKey of ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is IWLBJMMHTXGXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-9(12)10-6-3-4-8(11-10)5-7-10/h8,11H,2-7H2,1H3.
What are the key properties of ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate?
ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-azabicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 134857366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).