3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene

C21H21NO — CID 171972370

IUPAC3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3ccc4oc5ccccc5c4c3)CC1CCC2
InChIInChI=1S/C21H21NO/c1-22-16-5-4-6-17(22)12-15(11-16)14-9-10-21-19(13-14)18-7-2-3-8-20(18)23-21/h2-3,7-11,13,16-17H,4-6,12H2,1H3
InChIKeyCFFIYLGXQDJZTE-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.23
Rot. Bonds1

About 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene

3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171972370) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171972370
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3ccc4oc5ccccc5c4c3)CC1CCC2
InChIInChI=1S/C21H21NO/c1-22-16-5-4-6-17(22)12-15(11-16)14-9-10-21-19(13-14)18-7-2-3-8-20(18)23-21/h2-3,7-11,13,16-17H,4-6,12H2,1H3
InChIKeyCFFIYLGXQDJZTE-UHFFFAOYSA-N
XLogP5.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 3-dibenzofuran-2-yl-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171967022
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171968586
9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973283
3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 171973345
tert-butyl 7-dibenzofuran-2-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171967753
3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171975182
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
9-methyl-3-(naphthalen-1-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974433
8-methyl-3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171975237
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-1,3-benzoxazole
CID 171970818
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 22057926

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene (CID 171972370) is 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=C(c3ccc4oc5ccccc5c4c3)CC1CCC2.
What is the InChIKey of 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is CFFIYLGXQDJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22-16-5-4-6-17(22)12-15(11-16)14-9-10-21-19(13-14)18-7-2-3-8-20(18)23-21/h2-3,7-11,13,16-17H,4-6,12H2,1H3.
What are the key properties of 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 303.41 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-methyl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171972370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).