9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one

C14H18N2O2 — CID 62712505

IUPAC9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOc1ccc(N2C3CCCC2CC(=O)C3)cn1
InChIInChI=1S/C14H18N2O2/c1-18-14-6-5-12(9-15-14)16-10-3-2-4-11(16)8-13(17)7-10/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyYJFVSYIQYQXYSU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.18
Rot. Bonds2

About 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62712505) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62712505
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCOc1ccc(N2C3CCCC2CC(=O)C3)cn1
InChIInChI=1S/C14H18N2O2/c1-18-14-6-5-12(9-15-14)16-10-3-2-4-11(16)8-13(17)7-10/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyYJFVSYIQYQXYSU-UHFFFAOYSA-N
XLogP2.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 62712505) is 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one is COc1ccc(N2C3CCCC2CC(=O)C3)cn1.
What is the InChIKey of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is YJFVSYIQYQXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-14-6-5-12(9-15-14)16-10-3-2-4-11(16)8-13(17)7-10/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 246.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62712505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).