9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene

C20H22N2 — CID 171973283

IUPAC9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3ccc(-c4ccccn4)cc3)CC1CCC2
InChIInChI=1S/C20H22N2/c1-22-18-5-4-6-19(22)14-17(13-18)15-8-10-16(11-9-15)20-7-2-3-12-21-20/h2-3,7-13,18-19H,4-6,14H2,1H3
InChIKeyUGYGQIHQZJGEGJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.39
Rot. Bonds2

About 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene

9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171973283) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171973283
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3ccc(-c4ccccn4)cc3)CC1CCC2
InChIInChI=1S/C20H22N2/c1-22-18-5-4-6-19(22)14-17(13-18)15-8-10-16(11-9-15)20-7-2-3-12-21-20/h2-3,7-13,18-19H,4-6,14H2,1H3
InChIKeyUGYGQIHQZJGEGJ-UHFFFAOYSA-N
XLogP4.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-(1-phenylpyrazol-4-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974333
9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974487
2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine
CID 171974754
2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine
CID 171974603
tert-butyl 3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate
CID 171972602
8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957326
2-(4-methylphenyl)pyridine;silver
CID 121395993
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
CID 136551623
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
8-methyl-3-(6-pyrrolidin-1-ylnaphthalen-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 22143387
1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
9-benzyl-3-(3-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973036

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene (CID 171973283) is 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=C(c3ccc(-c4ccccn4)cc3)CC1CCC2.
What is the InChIKey of 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is UGYGQIHQZJGEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-22-18-5-4-6-19(22)14-17(13-18)15-8-10-16(11-9-15)20-7-2-3-12-21-20/h2-3,7-13,18-19H,4-6,14H2,1H3.
What are the key properties of 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 290.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171973283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).