4-(2-ethoxyethenyl)benzonitrile

C11H11NO — CID 131843899

IUPAC4-(2-ethoxyethenyl)benzonitrile
SMILESCCOC=Cc1ccc(C#N)cc1
InChIInChI=1S/C11H11NO/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-8H,2H2,1H3
InChIKeyUNWSACYQPMYFFU-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.57
Rot. Bonds3

About 4-(2-ethoxyethenyl)benzonitrile

4-(2-ethoxyethenyl)benzonitrile (PubChem CID 131843899) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-(2-ethoxyethenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-ethoxyethenyl)benzonitrile
PubChem CID131843899
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name4-(2-ethoxyethenyl)benzonitrile
SMILESCCOC=Cc1ccc(C#N)cc1
InChIInChI=1S/C11H11NO/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-8H,2H2,1H3
InChIKeyUNWSACYQPMYFFU-UHFFFAOYSA-N
XLogP2.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-(2-ethoxyethenyl)pyridine-3-carbonitrile
CID 69120874
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-pent-1-enyl]benzonitrile
CID 15363946
4-prop-1-enylbenzonitrile
CID 68719840
4-(2-ethylsulfanylethenyl)benzonitrile
CID 71427451
ethyl (E)-4-(4-cyanophenyl)-2-hydroxybut-3-enoate
CID 145290275
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
CID 75481575
4-[(Z)-oct-1-enyl]benzonitrile
CID 10632395
4-[(1E,3E)-4-(4-dodecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101332752
4-[(1E,3E)-4-(4-hexadecoxyphenyl)buta-1,3-dienyl]benzonitrile
CID 101352465
4-[2-(4-heptylphenyl)ethenyl]benzonitrile
CID 71383392
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethenyl)benzonitrile?
The IUPAC name of 4-(2-ethoxyethenyl)benzonitrile (CID 131843899) is 4-(2-ethoxyethenyl)benzonitrile.
What is the SMILES notation for 4-(2-ethoxyethenyl)benzonitrile?
The canonical SMILES for 4-(2-ethoxyethenyl)benzonitrile is CCOC=Cc1ccc(C#N)cc1.
What is the InChIKey of 4-(2-ethoxyethenyl)benzonitrile?
The InChIKey is UNWSACYQPMYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-8H,2H2,1H3.
What are the key properties of 4-(2-ethoxyethenyl)benzonitrile?
4-(2-ethoxyethenyl)benzonitrile has a molecular weight of 173.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethenyl)benzonitrile is sourced from PubChem (CID 131843899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).