11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene

C10H13NO — CID 141000195

IUPAC11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene
SMILESC1=CC2=CC(O1)N1CCCCC21
InChIInChI=1S/C10H13NO/c1-2-5-11-9(3-1)8-4-6-12-10(11)7-8/h4,6-7,9-10H,1-3,5H2
InChIKeyNXRQKZDMTHEMCW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.65
Rot. Bonds

About 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene

11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene (PubChem CID 141000195) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene.

Molecular Properties

Compound Name11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene
PubChem CID141000195
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene
SMILESC1=CC2=CC(O1)N1CCCCC21
InChIInChI=1S/C10H13NO/c1-2-5-11-9(3-1)8-4-6-12-10(11)7-8/h4,6-7,9-10H,1-3,5H2
InChIKeyNXRQKZDMTHEMCW-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117633981
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CID 142044157

Frequently Asked Questions

What is the IUPAC name of 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene?
The IUPAC name of 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene (CID 141000195) is 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene.
What is the SMILES notation for 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene?
The canonical SMILES for 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene is C1=CC2=CC(O1)N1CCCCC21.
What is the InChIKey of 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene?
The InChIKey is NXRQKZDMTHEMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-5-11-9(3-1)8-4-6-12-10(11)7-8/h4,6-7,9-10H,1-3,5H2.
What are the key properties of 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene?
11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene has a molecular weight of 163.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-2-azatricyclo[6.3.1.02,7]dodeca-8(12),9-diene is sourced from PubChem (CID 141000195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).