4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C13H17NO — CID 10219872

IUPAC4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1CNCC(C2)C1
InChIInChI=1S/C13H17NO/c1-15-12-3-2-10-4-9-5-11(8-14-7-9)13(10)6-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3
InChIKeyGZIFREAWIVCPFE-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.94
Rot. Bonds1

About 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 10219872) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID10219872
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1CNCC(C2)C1
InChIInChI=1S/C13H17NO/c1-15-12-3-2-10-4-9-5-11(8-14-7-9)13(10)6-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3
InChIKeyGZIFREAWIVCPFE-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10713913

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 10219872) is 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is COc1ccc2c(c1)C1CNCC(C2)C1.
What is the InChIKey of 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is GZIFREAWIVCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-12-3-2-10-4-9-5-11(8-14-7-9)13(10)6-12/h2-3,6,9,11,14H,4-5,7-8H2,1H3.
What are the key properties of 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 203.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 10219872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).