(3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane

C20H21N — CID 44585171

IUPAC(3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane
SMILESC(=C1\CN2CCC1CC2)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21N/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-20-15-21-12-10-19(20)11-13-21/h1-9,14,19H,10-13,15H2/b20-14+
InChIKeyRTFHBXLCOFNPOR-XSFVSMFZSA-N
MW275.40 g/mol
LogP4.46
Rot. Bonds2

About (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane

(3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane (PubChem CID 44585171) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane
PubChem CID44585171
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name(3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane
SMILESC(=C1\CN2CCC1CC2)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21N/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-20-15-21-12-10-19(20)11-13-21/h1-9,14,19H,10-13,15H2/b20-14+
InChIKeyRTFHBXLCOFNPOR-XSFVSMFZSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane (CID 44585171) is (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane is C(=C1\CN2CCC1CC2)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
The InChIKey is RTFHBXLCOFNPOR-XSFVSMFZSA-N. The full InChI is InChI=1S/C20H21N/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-20-15-21-12-10-19(20)11-13-21/h1-9,14,19H,10-13,15H2/b20-14+.
What are the key properties of (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
(3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane has a molecular weight of 275.40 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 44585171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).