3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile

C8H10N2O2 — CID 170276517

IUPAC3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
SMILESN#CCCO/C=C/OCCC#N
InChIInChI=1S/C8H10N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h7-8H,1-2,5-6H2/b8-7+
InChIKeySGOLDEOKYJHIHD-BQYQJAHWSA-N
MW166.18 g/mol
LogP1.32
Rot. Bonds6

About 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile

3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile (PubChem CID 170276517) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile.

Molecular Properties

Compound Name3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
PubChem CID170276517
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
SMILESN#CCCO/C=C/OCCC#N
InChIInChI=1S/C8H10N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h7-8H,1-2,5-6H2/b8-7+
InChIKeySGOLDEOKYJHIHD-BQYQJAHWSA-N
XLogP1.32
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-(hydroxyamino)oxypropanenitrile
CID 156648374
3-methoxypropanenitrile
CID 161061289
3-phosphanyloxypropanenitrile;rhenium
CID 153394986
ethane;3-methoxypropanenitrile
CID 142187534
azane;2-cyanoethyl hydrogen carbonate
CID 174589632
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-methylperoxypropanenitrile
CID 22946466
2-cyanoethyl 3-ethoxyprop-2-enoate
CID 152664001
bis(2-cyanoethoxyphosphonamidous acid);sulfane
CID 174370903
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
6-(2-cyanoethoxy)hexanenitrile
CID 142730413

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile?
The IUPAC name of 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile (CID 170276517) is 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile.
What is the SMILES notation for 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile?
The canonical SMILES for 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile is N#CCCO/C=C/OCCC#N.
What is the InChIKey of 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile?
The InChIKey is SGOLDEOKYJHIHD-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h7-8H,1-2,5-6H2/b8-7+.
What are the key properties of 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile?
3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile has a molecular weight of 166.18 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile is sourced from PubChem (CID 170276517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).