4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol

C17H17NO2 — CID 10754304

IUPAC4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
SMILESOc1ccc(-c2ccoc2C2=CN3CCC2CC3)cc1
InChIInChI=1S/C17H17NO2/c19-14-3-1-12(2-4-14)15-7-10-20-17(15)16-11-18-8-5-13(16)6-9-18/h1-4,7,10-11,13,19H,5-6,8-9H2
InChIKeyUCURTLDVWIWPRM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.72
Rot. Bonds2

About 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol

4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol (PubChem CID 10754304) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
PubChem CID10754304
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
SMILESOc1ccc(-c2ccoc2C2=CN3CCC2CC3)cc1
InChIInChI=1S/C17H17NO2/c19-14-3-1-12(2-4-14)15-7-10-20-17(15)16-11-18-8-5-13(16)6-9-18/h1-4,7,10-11,13,19H,5-6,8-9H2
InChIKeyUCURTLDVWIWPRM-UHFFFAOYSA-N
XLogP3.72
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol 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 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
The IUPAC name of 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol (CID 10754304) is 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol.
What is the SMILES notation for 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
The canonical SMILES for 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol is Oc1ccc(-c2ccoc2C2=CN3CCC2CC3)cc1.
What is the InChIKey of 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
The InChIKey is UCURTLDVWIWPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-14-3-1-12(2-4-14)15-7-10-20-17(15)16-11-18-8-5-13(16)6-9-18/h1-4,7,10-11,13,19H,5-6,8-9H2.
What are the key properties of 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol has a molecular weight of 267.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol is sourced from PubChem (CID 10754304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).