2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene

C10H11NO — CID 57397491

IUPAC2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
SMILESC1=C(c2ccco2)C2CCC1N2
InChIInChI=1S/C10H11NO/c1-2-10(12-5-1)8-6-7-3-4-9(8)11-7/h1-2,5-7,9,11H,3-4H2
InChIKeyOMOHAVZPKKCTCO-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.80
Rot. Bonds1

About 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene

2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene (PubChem CID 57397491) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
PubChem CID57397491
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
SMILESC1=C(c2ccco2)C2CCC1N2
InChIInChI=1S/C10H11NO/c1-2-10(12-5-1)8-6-7-3-4-9(8)11-7/h1-2,5-7,9,11H,3-4H2
InChIKeyOMOHAVZPKKCTCO-UHFFFAOYSA-N
XLogP1.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-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 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene (CID 57397491) is 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene is C1=C(c2ccco2)C2CCC1N2.
What is the InChIKey of 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
The InChIKey is OMOHAVZPKKCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-10(12-5-1)8-6-7-3-4-9(8)11-7/h1-2,5-7,9,11H,3-4H2.
What are the key properties of 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene has a molecular weight of 161.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-azabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 57397491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).