7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene

C14H19NO — CID 14822705

IUPAC7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
SMILESCOc1ccc2c3c1CCN(C)CC3CC2
InChIInChI=1S/C14H19NO/c1-15-8-7-12-13(16-2)6-5-10-3-4-11(9-15)14(10)12/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyGANDSXBDUFPZDZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.21
Rot. Bonds1

About 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene

7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene (PubChem CID 14822705) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene.

Molecular Properties

Compound Name7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
PubChem CID14822705
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
SMILESCOc1ccc2c3c1CCN(C)CC3CC2
InChIInChI=1S/C14H19NO/c1-15-8-7-12-13(16-2)6-5-10-3-4-11(9-15)14(10)12/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyGANDSXBDUFPZDZ-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
The IUPAC name of 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene (CID 14822705) is 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene.
What is the SMILES notation for 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
The canonical SMILES for 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene is COc1ccc2c3c1CCN(C)CC3CC2.
What is the InChIKey of 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
The InChIKey is GANDSXBDUFPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-8-7-12-13(16-2)6-5-10-3-4-11(9-15)14(10)12/h5-6,11H,3-4,7-9H2,1-2H3.
What are the key properties of 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene?
7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene has a molecular weight of 217.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene is sourced from PubChem (CID 14822705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).