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

C8H11NO — CID 12857876

IUPAC3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C8H11NO/c1-2-6-3-5(1)7-4-9-10-8(6)7/h4-8H,1-3H2
InChIKeyIZGBNKJMJXDWQA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.42
Rot. Bonds

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

3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 12857876) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID12857876
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C8H11NO/c1-2-6-3-5(1)7-4-9-10-8(6)7/h4-8H,1-3H2
InChIKeyIZGBNKJMJXDWQA-UHFFFAOYSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (CID 12857876) is 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is C1=NOC2C3CCC(C3)C12.
What is the InChIKey of 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is IZGBNKJMJXDWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-6-3-5(1)7-4-9-10-8(6)7/h4-8H,1-3H2.
What are the key properties of 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 137.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 12857876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).