(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile

C16H13NOSe — CID 10519304

IUPAC(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
SMILESCOc1ccc([Se]/C(=C\C#N)c2ccccc2)cc1
InChIInChI=1S/C16H13NOSe/c1-18-14-7-9-15(10-8-14)19-16(11-12-17)13-5-3-2-4-6-13/h2-11H,1H3/b16-11-
InChIKeyHFXGPYPLRJKAJS-WJDWOHSUSA-N
MW314.25 g/mol
LogP2.59
Rot. Bonds4

About (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile

(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile (PubChem CID 10519304) has the molecular formula C16H13NOSe and a molecular weight of 314.25 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
PubChem CID10519304
Molecular FormulaC16H13NOSe
Molecular Weight314.25 g/mol
Exact Mass315.02
IUPAC Name(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
SMILESCOc1ccc([Se]/C(=C\C#N)c2ccccc2)cc1
InChIInChI=1S/C16H13NOSe/c1-18-14-7-9-15(10-8-14)19-16(11-12-17)13-5-3-2-4-6-13/h2-11H,1H3/b16-11-
InChIKeyHFXGPYPLRJKAJS-WJDWOHSUSA-N
XLogP2.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
(Z)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 69166539
anisole;cyanic acid
CID 174663500
3-chloro-2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
CID 54029927
3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 54258462
(E)-4-methoxy-3-phenylbut-2-enenitrile
CID 103465888
2-(4-methoxyphenyl)selanylbenzonitrile
CID 132525672
(Z)-3-(4-methoxyphenyl)sulfanyl-2-phenylprop-2-enenitrile
CID 101045592

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile (CID 10519304) is (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile is COc1ccc([Se]/C(=C\C#N)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile?
The InChIKey is HFXGPYPLRJKAJS-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H13NOSe/c1-18-14-7-9-15(10-8-14)19-16(11-12-17)13-5-3-2-4-6-13/h2-11H,1H3/b16-11-.
What are the key properties of (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile?
(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile has a molecular weight of 314.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile is sourced from PubChem (CID 10519304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).