3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C20H19NO — CID 171973345

IUPAC3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3cccc4c3oc3ccccc34)CC1CC2
InChIInChI=1S/C20H19NO/c1-21-14-9-10-15(21)12-13(11-14)16-6-4-7-18-17-5-2-3-8-19(17)22-20(16)18/h2-8,11,14-15H,9-10,12H2,1H3
InChIKeyDOLUAPBRAFFNSG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.84
Rot. Bonds1

About 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171973345) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171973345
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3cccc4c3oc3ccccc34)CC1CC2
InChIInChI=1S/C20H19NO/c1-21-14-9-10-15(21)12-13(11-14)16-6-4-7-18-17-5-2-3-8-19(17)22-20(16)18/h2-8,11,14-15H,9-10,12H2,1H3
InChIKeyDOLUAPBRAFFNSG-UHFFFAOYSA-N
XLogP4.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 171973345) is 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=C(c3cccc4c3oc3ccccc34)CC1CC2.
What is the InChIKey of 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is DOLUAPBRAFFNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-21-14-9-10-15(21)12-13(11-14)16-6-4-7-18-17-5-2-3-8-19(17)22-20(16)18/h2-8,11,14-15H,9-10,12H2,1H3.
What are the key properties of 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 289.38 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171973345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).