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

C21H24N2O2 — CID 10544852

IUPAC4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine
SMILESC1=C(c2occc2-c2ccc(N3CCOCC3)cc2)C2CCN1CC2
InChIInChI=1S/C21H24N2O2/c1-3-18(23-10-13-24-14-11-23)4-2-16(1)19-7-12-25-21(19)20-15-22-8-5-17(20)6-9-22/h1-4,7,12,15,17H,5-6,8-11,13-14H2
InChIKeyCBDJZHFJKQNGLM-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.85
Rot. Bonds3

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

4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine (PubChem CID 10544852) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine
PubChem CID10544852
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine
SMILESC1=C(c2occc2-c2ccc(N3CCOCC3)cc2)C2CCN1CC2
InChIInChI=1S/C21H24N2O2/c1-3-18(23-10-13-24-14-11-23)4-2-16(1)19-7-12-25-21(19)20-15-22-8-5-17(20)6-9-22/h1-4,7,12,15,17H,5-6,8-11,13-14H2
InChIKeyCBDJZHFJKQNGLM-UHFFFAOYSA-N
XLogP3.85
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine (CID 10544852) is 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine is C1=C(c2occc2-c2ccc(N3CCOCC3)cc2)C2CCN1CC2.
What is the InChIKey of 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine?
The InChIKey is CBDJZHFJKQNGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-18(23-10-13-24-14-11-23)4-2-16(1)19-7-12-25-21(19)20-15-22-8-5-17(20)6-9-22/h1-4,7,12,15,17H,5-6,8-11,13-14H2.
What are the key properties of 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine?
4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine has a molecular weight of 336.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenyl]morpholine is sourced from PubChem (CID 10544852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).