8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C10H11NO — CID 152881590

IUPAC8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)OC1CNC2C1
InChIInChI=1S/C10H11NO/c1-2-4-10-8(3-1)9-5-7(12-10)6-11-9/h1-4,7,9,11H,5-6H2
InChIKeyUBOUWDUOOIWDPV-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.48
Rot. Bonds

About 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 152881590) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID152881590
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)OC1CNC2C1
InChIInChI=1S/C10H11NO/c1-2-4-10-8(3-1)9-5-7(12-10)6-11-9/h1-4,7,9,11H,5-6H2
InChIKeyUBOUWDUOOIWDPV-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 152881590) is 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is c1ccc2c(c1)OC1CNC2C1.
What is the InChIKey of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is UBOUWDUOOIWDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-10-8(3-1)9-5-7(12-10)6-11-9/h1-4,7,9,11H,5-6H2.
What are the key properties of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 161.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 152881590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).