6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C13H17NO — CID 2829840

IUPAC6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc2c3c1CCCN3CCC2
InChIInChI=1S/C13H17NO/c1-15-12-7-6-10-4-2-8-14-9-3-5-11(12)13(10)14/h6-7H,2-5,8-9H2,1H3
InChIKeyZSKPEBROOQBZNW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.39
Rot. Bonds1

About 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 2829840) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID2829840
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc2c3c1CCCN3CCC2
InChIInChI=1S/C13H17NO/c1-15-12-7-6-10-4-2-8-14-9-3-5-11(12)13(10)14/h6-7H,2-5,8-9H2,1H3
InChIKeyZSKPEBROOQBZNW-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 2829840) is 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is COc1ccc2c3c1CCCN3CCC2.
What is the InChIKey of 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is ZSKPEBROOQBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-12-7-6-10-4-2-8-14-9-3-5-11(12)13(10)14/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 203.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 2829840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).