(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

C15H20N2O — CID 71512029

IUPAC(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccc(C2=C[C@H]3C[C@@H](C2)CN(C)C3)cn1
InChIInChI=1S/C15H20N2O/c1-17-9-11-5-12(10-17)7-14(6-11)13-3-4-15(18-2)16-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXZMYNLLVUGBWFQ-NEPJUHHUSA-N
MW244.34 g/mol
LogP2.45
Rot. Bonds2

About (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71512029) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71512029
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccc(C2=C[C@H]3C[C@@H](C2)CN(C)C3)cn1
InChIInChI=1S/C15H20N2O/c1-17-9-11-5-12(10-17)7-14(6-11)13-3-4-15(18-2)16-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXZMYNLLVUGBWFQ-NEPJUHHUSA-N
XLogP2.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (CID 71512029) is (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is COc1ccc(C2=C[C@H]3C[C@@H](C2)CN(C)C3)cn1.
What is the InChIKey of (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is XZMYNLLVUGBWFQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-9-11-5-12(10-17)7-14(6-11)13-3-4-15(18-2)16-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
(1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 244.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-(6-methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71512029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).