5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile

C18H15NO2Se — CID 10450890

IUPAC5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)OC(C[Se](=O)c2ccccc2)C1
InChIInChI=1S/C18H15NO2Se/c19-12-15-11-16(13-22(20)17-9-5-2-6-10-17)21-18(15)14-7-3-1-4-8-14/h1-10,16H,11,13H2
InChIKeyVOYCCCNCZXFFAA-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.04
Rot. Bonds4

About 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile

5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile (PubChem CID 10450890) has the molecular formula C18H15NO2Se and a molecular weight of 356.28 g/mol. Its IUPAC name is 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile.

Molecular Properties

Compound Name5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile
PubChem CID10450890
Molecular FormulaC18H15NO2Se
Molecular Weight356.28 g/mol
Exact Mass357.03
IUPAC Name5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)OC(C[Se](=O)c2ccccc2)C1
InChIInChI=1S/C18H15NO2Se/c19-12-15-11-16(13-22(20)17-9-5-2-6-10-17)21-18(15)14-7-3-1-4-8-14/h1-10,16H,11,13H2
InChIKeyVOYCCCNCZXFFAA-UHFFFAOYSA-N
XLogP3.04
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile?
The IUPAC name of 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile (CID 10450890) is 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile.
What is the SMILES notation for 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile?
The canonical SMILES for 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile is N#CC1=C(c2ccccc2)OC(C[Se](=O)c2ccccc2)C1.
What is the InChIKey of 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile?
The InChIKey is VOYCCCNCZXFFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2Se/c19-12-15-11-16(13-22(20)17-9-5-2-6-10-17)21-18(15)14-7-3-1-4-8-14/h1-10,16H,11,13H2.
What are the key properties of 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile?
5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile has a molecular weight of 356.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile is sourced from PubChem (CID 10450890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).