6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene

C13H16N2O — CID 177350738

IUPAC6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCOc1cc(C2=CC3CC2N(C)C3)ccn1
InChIInChI=1S/C13H16N2O/c1-15-8-9-5-11(12(15)6-9)10-3-4-14-13(7-10)16-2/h3-5,7,9,12H,6,8H2,1-2H3
InChIKeyWQQFIZVXYZDZHE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.81
Rot. Bonds2

About 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene

6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 177350738) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID177350738
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCOc1cc(C2=CC3CC2N(C)C3)ccn1
InChIInChI=1S/C13H16N2O/c1-15-8-9-5-11(12(15)6-9)10-3-4-14-13(7-10)16-2/h3-5,7,9,12H,6,8H2,1-2H3
InChIKeyWQQFIZVXYZDZHE-UHFFFAOYSA-N
XLogP1.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene (CID 177350738) is 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene is COc1cc(C2=CC3CC2N(C)C3)ccn1.
What is the InChIKey of 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is WQQFIZVXYZDZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-8-9-5-11(12(15)6-9)10-3-4-14-13(7-10)16-2/h3-5,7,9,12H,6,8H2,1-2H3.
What are the key properties of 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene?
6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 216.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 177350738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).