3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene

C19H21NO — CID 10707802

IUPAC3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
SMILESCCc1cccc(-c2ccoc2C2=CN3CCC2CC3)c1
InChIInChI=1S/C19H21NO/c1-2-14-4-3-5-16(12-14)17-8-11-21-19(17)18-13-20-9-6-15(18)7-10-20/h3-5,8,11-13,15H,2,6-7,9-10H2,1H3
InChIKeyAKMDZGUFAAEGFX-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.58
Rot. Bonds3

About 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene

3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene (PubChem CID 10707802) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
PubChem CID10707802
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
SMILESCCc1cccc(-c2ccoc2C2=CN3CCC2CC3)c1
InChIInChI=1S/C19H21NO/c1-2-14-4-3-5-16(12-14)17-8-11-21-19(17)18-13-20-9-6-15(18)7-10-20/h3-5,8,11-13,15H,2,6-7,9-10H2,1H3
InChIKeyAKMDZGUFAAEGFX-UHFFFAOYSA-N
XLogP4.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene (CID 10707802) is 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene is CCc1cccc(-c2ccoc2C2=CN3CCC2CC3)c1.
What is the InChIKey of 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
The InChIKey is AKMDZGUFAAEGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-14-4-3-5-16(12-14)17-8-11-21-19(17)18-13-20-9-6-15(18)7-10-20/h3-5,8,11-13,15H,2,6-7,9-10H2,1H3.
What are the key properties of 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene has a molecular weight of 279.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 10707802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).