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

C21H24N2O — CID 71455358

IUPAC3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3cncc(OCc4ccccc4)c3)CC(C2)C1
InChIInChI=1S/C21H24N2O/c1-23-13-17-7-18(14-23)9-19(8-17)20-10-21(12-22-11-20)24-15-16-5-3-2-4-6-16/h2-6,8,10-12,17-18H,7,9,13-15H2,1H3
InChIKeyJASZEBXICKBENQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.02
Rot. Bonds4

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

3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71455358) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71455358
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3cncc(OCc4ccccc4)c3)CC(C2)C1
InChIInChI=1S/C21H24N2O/c1-23-13-17-7-18(14-23)9-19(8-17)20-10-21(12-22-11-20)24-15-16-5-3-2-4-6-16/h2-6,8,10-12,17-18H,7,9,13-15H2,1H3
InChIKeyJASZEBXICKBENQ-UHFFFAOYSA-N
XLogP4.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (CID 71455358) is 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is CN1CC2C=C(c3cncc(OCc4ccccc4)c3)CC(C2)C1.
What is the InChIKey of 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is JASZEBXICKBENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23-13-17-7-18(14-23)9-19(8-17)20-10-21(12-22-11-20)24-15-16-5-3-2-4-6-16/h2-6,8,10-12,17-18H,7,9,13-15H2,1H3.
What are the key properties of 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 320.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71455358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).