7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

C14H18N2O — CID 57485800

IUPAC7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C14H18N2O/c1-17-14-5-13(8-16-9-14)12-3-10-2-11(4-12)7-15-6-10/h3,5,8-11,15H,2,4,6-7H2,1H3
InChIKeyYSVOMDFBWJGXEL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.10
Rot. Bonds2

About 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 57485800) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID57485800
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C14H18N2O/c1-17-14-5-13(8-16-9-14)12-3-10-2-11(4-12)7-15-6-10/h3,5,8-11,15H,2,4,6-7H2,1H3
InChIKeyYSVOMDFBWJGXEL-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (CID 57485800) is 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is COc1cncc(C2=CC3CNCC(C2)C3)c1.
What is the InChIKey of 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is YSVOMDFBWJGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-5-13(8-16-9-14)12-3-10-2-11(4-12)7-15-6-10/h3,5,8-11,15H,2,4,6-7H2,1H3.
What are the key properties of 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 230.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 57485800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).