5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

C10H15NO2 — CID 602386

IUPAC5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCCOC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C10H15NO2/c1-2-12-10-8-6-3-4-7(5-6)9(8)13-11-10/h6-9H,2-5H2,1H3
InChIKeyQCVHMSYPSIVFBU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.78
Rot. Bonds1

About 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 602386) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID602386
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCCOC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C10H15NO2/c1-2-12-10-8-6-3-4-7(5-6)9(8)13-11-10/h6-9H,2-5H2,1H3
InChIKeyQCVHMSYPSIVFBU-UHFFFAOYSA-N
XLogP1.78
TPSA30.82 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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (CID 602386) is 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is CCOC1=NOC2C3CCC(C3)C12.
What is the InChIKey of 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is QCVHMSYPSIVFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-12-10-8-6-3-4-7(5-6)9(8)13-11-10/h6-9H,2-5H2,1H3.
What are the key properties of 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 181.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 602386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).