(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile

C6H4N2O — CID 20510390

IUPAC(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile
SMILESN#C/C=C/O/C=C/C#N
InChIInChI=1S/C6H4N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H/b5-1+,6-2+
InChIKeyWXQPJWMOXCKUBV-IJIVKGSJSA-N
MW120.11 g/mol
LogP1.08
Rot. Bonds2

About (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile

(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile (PubChem CID 20510390) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile
PubChem CID20510390
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile
SMILESN#C/C=C/O/C=C/C#N
InChIInChI=1S/C6H4N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H/b5-1+,6-2+
InChIKeyWXQPJWMOXCKUBV-IJIVKGSJSA-N
XLogP1.08
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-ethenoxyprop-2-enenitrile
CID 163756641
3-methoxyprop-2-enenitrile
CID 2723755
3-(cyanomethoxy)prop-2-enenitrile
CID 76755068
[(Z)-2-cyanoethenyl] phosphate
CID 135040715
3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxyprop-2-enenitrile
CID 142728419
diethyl 2-[(Z)-2-cyanoethenoxy]propanedioate
CID 58308077
2-cyanoethenyl N,N-bis(sulfanyl)carbamate
CID 90897231
3-octadecoxyprop-2-enenitrile
CID 174717457
3-dodecoxyprop-2-enenitrile
CID 174674000
3-phosphanylprop-2-enenitrile
CID 86203700
(E)-(413C)but-2-enenitrile
CID 10986149
zinc;but-2-enenitrile;bromide
CID 173118440

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile?
The IUPAC name of (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile (CID 20510390) is (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile.
What is the SMILES notation for (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile?
The canonical SMILES for (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile is N#C/C=C/O/C=C/C#N.
What is the InChIKey of (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile?
The InChIKey is WXQPJWMOXCKUBV-IJIVKGSJSA-N. The full InChI is InChI=1S/C6H4N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H/b5-1+,6-2+.
What are the key properties of (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile?
(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile has a molecular weight of 120.11 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile is sourced from PubChem (CID 20510390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).