2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene

C14H19NO — CID 70374316

IUPAC2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
SMILESCOC1=CC2=CCCC3CC(C)NCC1=C23
InChIInChI=1S/C14H19NO/c1-9-6-10-4-3-5-11-7-13(16-2)12(8-15-9)14(10)11/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyMDGFGAVJGOJFJA-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.55
Rot. Bonds1

About 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene

2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene (PubChem CID 70374316) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene.

Molecular Properties

Compound Name2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
PubChem CID70374316
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
SMILESCOC1=CC2=CCCC3CC(C)NCC1=C23
InChIInChI=1S/C14H19NO/c1-9-6-10-4-3-5-11-7-13(16-2)12(8-15-9)14(10)11/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyMDGFGAVJGOJFJA-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
The IUPAC name of 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene (CID 70374316) is 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene.
What is the SMILES notation for 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
The canonical SMILES for 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene is COC1=CC2=CCCC3CC(C)NCC1=C23.
What is the InChIKey of 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
The InChIKey is MDGFGAVJGOJFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-6-10-4-3-5-11-7-13(16-2)12(8-15-9)14(10)11/h5,7,9-10,15H,3-4,6,8H2,1-2H3.
What are the key properties of 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene has a molecular weight of 217.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene is sourced from PubChem (CID 70374316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).