(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile

C15H17NO2 — CID 11593933

IUPAC(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile
SMILESN#CC(/C=C/c1ccccc1)OC1CCCCO1
InChIInChI=1S/C15H17NO2/c16-12-14(18-15-8-4-5-11-17-15)10-9-13-6-2-1-3-7-13/h1-3,6-7,9-10,14-15H,4-5,8,11H2/b10-9+
InChIKeyVWYBIVJSSTVIIJ-MDZDMXLPSA-N
MW243.31 g/mol
LogP3.14
Rot. Bonds4

About (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile

(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile (PubChem CID 11593933) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile.

Molecular Properties

Compound Name(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile
PubChem CID11593933
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile
SMILESN#CC(/C=C/c1ccccc1)OC1CCCCO1
InChIInChI=1S/C15H17NO2/c16-12-14(18-15-8-4-5-11-17-15)10-9-13-6-2-1-3-7-13/h1-3,6-7,9-10,14-15H,4-5,8,11H2/b10-9+
InChIKeyVWYBIVJSSTVIIJ-MDZDMXLPSA-N
XLogP3.14
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-yloxy)-3-phenylpropanenitrile
CID 14767297
3-methyl-2-(oxan-2-yloxy)-4-phenylbutanenitrile
CID 102467228
tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane
CID 101421937
2-[(2S)-2-(oxan-2-yloxy)propoxy]benzonitrile
CID 175791848
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
CID 102130816
2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol
CID 72615709
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
(E,3R,4S)-8-(oxan-2-yloxy)-1-phenyl-3-phenylsulfanyloct-1-en-4-ol
CID 70408442
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739
(3R,4S)-3-(benzenesulfinyl)-8-(oxan-2-yloxy)-1-phenyloct-1-en-4-ol
CID 56996319

Frequently Asked Questions

What is the IUPAC name of (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile?
The IUPAC name of (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile (CID 11593933) is (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile.
What is the SMILES notation for (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile?
The canonical SMILES for (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile is N#CC(/C=C/c1ccccc1)OC1CCCCO1.
What is the InChIKey of (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile?
The InChIKey is VWYBIVJSSTVIIJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H17NO2/c16-12-14(18-15-8-4-5-11-17-15)10-9-13-6-2-1-3-7-13/h1-3,6-7,9-10,14-15H,4-5,8,11H2/b10-9+.
What are the key properties of (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile?
(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile has a molecular weight of 243.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile is sourced from PubChem (CID 11593933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).