6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene

C8H13NO — CID 130224420

IUPAC6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene
SMILESCCN1CC2CC1C=CO2
InChIInChI=1S/C8H13NO/c1-2-9-6-8-5-7(9)3-4-10-8/h3-4,7-8H,2,5-6H2,1H3
InChIKeyMTSIDXAUPIZUPM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.99
Rot. Bonds1

About 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene

6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene (PubChem CID 130224420) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene
PubChem CID130224420
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene
SMILESCCN1CC2CC1C=CO2
InChIInChI=1S/C8H13NO/c1-2-9-6-8-5-7(9)3-4-10-8/h3-4,7-8H,2,5-6H2,1H3
InChIKeyMTSIDXAUPIZUPM-UHFFFAOYSA-N
XLogP0.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene?
The IUPAC name of 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene (CID 130224420) is 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene is CCN1CC2CC1C=CO2.
What is the InChIKey of 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene?
The InChIKey is MTSIDXAUPIZUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-9-6-8-5-7(9)3-4-10-8/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene?
6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene has a molecular weight of 139.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-oxa-6-azabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 130224420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).