4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile

C15H17NO2 — CID 11356947

IUPAC4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile
SMILESN#Cc1ccc(/C=C/COC2CCCCO2)cc1
InChIInChI=1S/C15H17NO2/c16-12-14-8-6-13(7-9-14)4-3-11-18-15-5-1-2-10-17-15/h3-4,6-9,15H,1-2,5,10-11H2/b4-3+
InChIKeyVVANUMXUIYAGBK-ONEGZZNKSA-N
MW243.31 g/mol
LogP3.11
Rot. Bonds4

About 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile

4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile (PubChem CID 11356947) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile
PubChem CID11356947
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile
SMILESN#Cc1ccc(/C=C/COC2CCCCO2)cc1
InChIInChI=1S/C15H17NO2/c16-12-14-8-6-13(7-9-14)4-3-11-18-15-5-1-2-10-17-15/h3-4,6-9,15H,1-2,5,10-11H2/b4-3+
InChIKeyVVANUMXUIYAGBK-ONEGZZNKSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium
CID 163750815
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824
(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
CID 170189433
4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline
CID 11346235
6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
CID 26384987
4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
CID 150509370
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane
CID 44519885

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile?
The IUPAC name of 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile (CID 11356947) is 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile?
The canonical SMILES for 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile is N#Cc1ccc(/C=C/COC2CCCCO2)cc1.
What is the InChIKey of 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile?
The InChIKey is VVANUMXUIYAGBK-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H17NO2/c16-12-14-8-6-13(7-9-14)4-3-11-18-15-5-1-2-10-17-15/h3-4,6-9,15H,1-2,5,10-11H2/b4-3+.
What are the key properties of 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile?
4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile is sourced from PubChem (CID 11356947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).