(4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine

C16H19NOSe — CID 102073486

IUPAC(4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine
SMILESC(=C1\CO/C(=N\C2CCCCC2)[Se]1)\c1ccccc1
InChIInChI=1S/C16H19NOSe/c1-3-7-13(8-4-1)11-15-12-18-16(19-15)17-14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2/b15-11+,17-16+
InChIKeyUHUCZMRHYMHTFR-YRICKYJRSA-N
MW320.29 g/mol
LogP3.45
Rot. Bonds2

About (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine

(4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine (PubChem CID 102073486) has the molecular formula C16H19NOSe and a molecular weight of 320.29 g/mol. Its IUPAC name is (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine.

Molecular Properties

Compound Name(4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine
PubChem CID102073486
Molecular FormulaC16H19NOSe
Molecular Weight320.29 g/mol
Exact Mass321.06
IUPAC Name(4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine
SMILESC(=C1\CO/C(=N\C2CCCCC2)[Se]1)\c1ccccc1
InChIInChI=1S/C16H19NOSe/c1-3-7-13(8-4-1)11-15-12-18-16(19-15)17-14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2/b15-11+,17-16+
InChIKeyUHUCZMRHYMHTFR-YRICKYJRSA-N
XLogP3.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one
CID 16626234
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(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one
CID 7065476
4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one
CID 2839077
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CID 57054416
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Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine?
The IUPAC name of (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine (CID 102073486) is (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine.
What is the SMILES notation for (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine?
The canonical SMILES for (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine is C(=C1\CO/C(=N\C2CCCCC2)[Se]1)\c1ccccc1.
What is the InChIKey of (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine?
The InChIKey is UHUCZMRHYMHTFR-YRICKYJRSA-N. The full InChI is InChI=1S/C16H19NOSe/c1-3-7-13(8-4-1)11-15-12-18-16(19-15)17-14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2/b15-11+,17-16+.
What are the key properties of (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine?
(4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine has a molecular weight of 320.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-N-cyclohexyl-1,3-oxaselenolan-2-imine is sourced from PubChem (CID 102073486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).