(8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene

C14H19NO — CID 124638043

IUPAC(8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
SMILESCOC1=CC2=CCC[C@@H]3C[C@H](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/t9-,10+/m0/s1
InChIKeyMDGFGAVJGOJFJA-VHSXEESVSA-N
MW217.31 g/mol
LogP2.55
Rot. Bonds1

About (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene

(8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene (PubChem CID 124638043) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene.

Molecular Properties

Compound Name(8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
PubChem CID124638043
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
SMILESCOC1=CC2=CCC[C@@H]3C[C@H](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/t9-,10+/m0/s1
InChIKeyMDGFGAVJGOJFJA-VHSXEESVSA-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 (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
The IUPAC name of (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene (CID 124638043) is (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene.
What is the SMILES notation for (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
The canonical SMILES for (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene is COC1=CC2=CCC[C@@H]3C[C@H](C)NCC1=C23.
What is the InChIKey of (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
The InChIKey is MDGFGAVJGOJFJA-VHSXEESVSA-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/t9-,10+/m0/s1.
What are the key properties of (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene?
(8R,10S)-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 (8R,10S)-2-methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene is sourced from PubChem (CID 124638043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).