7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

C16H22N2O — CID 57485797

IUPAC7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCC(C)Oc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C16H22N2O/c1-11(2)19-16-6-15(9-18-10-16)14-4-12-3-13(5-14)8-17-7-12/h4,6,9-13,17H,3,5,7-8H2,1-2H3
InChIKeyLYGZRGMHPFAAMR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.88
Rot. Bonds3

About 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 57485797) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID57485797
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCC(C)Oc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C16H22N2O/c1-11(2)19-16-6-15(9-18-10-16)14-4-12-3-13(5-14)8-17-7-12/h4,6,9-13,17H,3,5,7-8H2,1-2H3
InChIKeyLYGZRGMHPFAAMR-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (CID 57485797) is 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is CC(C)Oc1cncc(C2=CC3CNCC(C2)C3)c1.
What is the InChIKey of 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is LYGZRGMHPFAAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)19-16-6-15(9-18-10-16)14-4-12-3-13(5-14)8-17-7-12/h4,6,9-13,17H,3,5,7-8H2,1-2H3.
What are the key properties of 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 258.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 57485797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).