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

C15H20N2O — CID 62993573

IUPAC9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1ccc(CN2C3CCCC2CC(=O)C3)cn1
InChIInChI=1S/C15H20N2O/c1-11-5-6-12(9-16-11)10-17-13-3-2-4-14(17)8-15(18)7-13/h5-6,9,13-14H,2-4,7-8,10H2,1H3
InChIKeyIAEMTTPONGTKRI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.48
Rot. Bonds2

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

9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62993573) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62993573
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1ccc(CN2C3CCCC2CC(=O)C3)cn1
InChIInChI=1S/C15H20N2O/c1-11-5-6-12(9-16-11)10-17-13-3-2-4-14(17)8-15(18)7-13/h5-6,9,13-14H,2-4,7-8,10H2,1H3
InChIKeyIAEMTTPONGTKRI-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 62993573) is 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is Cc1ccc(CN2C3CCCC2CC(=O)C3)cn1.
What is the InChIKey of 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is IAEMTTPONGTKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-6-12(9-16-11)10-17-13-3-2-4-14(17)8-15(18)7-13/h5-6,9,13-14H,2-4,7-8,10H2,1H3.
What are the key properties of 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 244.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-methyl-3-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62993573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).