3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C12H15NO — CID 22278966

IUPAC3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3ccco3)CC1CC2
InChIInChI=1S/C12H15NO/c1-13-10-4-5-11(13)8-9(7-10)12-3-2-6-14-12/h2-3,6-7,10-11H,4-5,8H2,1H3
InChIKeyANCYAZAGAVYFFY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.53
Rot. Bonds1

About 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 22278966) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID22278966
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3ccco3)CC1CC2
InChIInChI=1S/C12H15NO/c1-13-10-4-5-11(13)8-9(7-10)12-3-2-6-14-12/h2-3,6-7,10-11H,4-5,8H2,1H3
InChIKeyANCYAZAGAVYFFY-UHFFFAOYSA-N
XLogP2.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(furan-2-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-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 22278966) is 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=C(c3ccco3)CC1CC2.
What is the InChIKey of 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is ANCYAZAGAVYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-10-4-5-11(13)8-9(7-10)12-3-2-6-14-12/h2-3,6-7,10-11H,4-5,8H2,1H3.
What are the key properties of 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 189.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 22278966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).