3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene

C19H21NO — CID 10660333

IUPAC3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
SMILESCCc1ccc(-c2ccoc2C2=CN3CCC2CC3)cc1
InChIInChI=1S/C19H21NO/c1-2-14-3-5-15(6-4-14)17-9-12-21-19(17)18-13-20-10-7-16(18)8-11-20/h3-6,9,12-13,16H,2,7-8,10-11H2,1H3
InChIKeyYKICXCKVEJORPH-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.58
Rot. Bonds3

About 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene

3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene (PubChem CID 10660333) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
PubChem CID10660333
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
SMILESCCc1ccc(-c2ccoc2C2=CN3CCC2CC3)cc1
InChIInChI=1S/C19H21NO/c1-2-14-3-5-15(6-4-14)17-9-12-21-19(17)18-13-20-10-7-16(18)8-11-20/h3-6,9,12-13,16H,2,7-8,10-11H2,1H3
InChIKeyYKICXCKVEJORPH-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

Analyze 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene with MolForge

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Related Compounds

Methyl 3-(4-(furan-3-yl)phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 11508116
3-(Benzofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 9859365
3-[2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
CID 10683266
4-[2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
CID 10754304
4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-furan-2-yl-allyl)-piperidine
CID 11102187
Methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzoate
CID 44349519
3-(3-Phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 9794960
3-Benzofuran-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene
CID 10466231
3-(5-Methylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10559551
3-(3-Methylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10631505
3-(4-Phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10658402
3-(5-Ethylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10679666

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene (CID 10660333) is 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene is CCc1ccc(-c2ccoc2C2=CN3CCC2CC3)cc1.
What is the InChIKey of 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
The InChIKey is YKICXCKVEJORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-14-3-5-15(6-4-14)17-9-12-21-19(17)18-13-20-10-7-16(18)8-11-20/h3-6,9,12-13,16H,2,7-8,10-11H2,1H3.
What are the key properties of 3-[3-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene?
3-[3-(4-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-(4-ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 10660333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).