2-ethoxybutanedinitrile

C6H8N2O — CID 21253561

IUPAC2-ethoxybutanedinitrile
SMILESCCOC(C#N)CC#N
InChIInChI=1S/C6H8N2O/c1-2-9-6(5-8)3-4-7/h6H,2-3H2,1H3
InChIKeyZPZUEGOXASKMRT-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.83
Rot. Bonds3

About 2-ethoxybutanedinitrile

2-ethoxybutanedinitrile (PubChem CID 21253561) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-ethoxybutanedinitrile.

Molecular Properties

Compound Name2-ethoxybutanedinitrile
PubChem CID21253561
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-ethoxybutanedinitrile
SMILESCCOC(C#N)CC#N
InChIInChI=1S/C6H8N2O/c1-2-9-6(5-8)3-4-7/h6H,2-3H2,1H3
InChIKeyZPZUEGOXASKMRT-UHFFFAOYSA-N
XLogP0.83
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutanedinitrile?
The IUPAC name of 2-ethoxybutanedinitrile (CID 21253561) is 2-ethoxybutanedinitrile.
What is the SMILES notation for 2-ethoxybutanedinitrile?
The canonical SMILES for 2-ethoxybutanedinitrile is CCOC(C#N)CC#N.
What is the InChIKey of 2-ethoxybutanedinitrile?
The InChIKey is ZPZUEGOXASKMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-9-6(5-8)3-4-7/h6H,2-3H2,1H3.
What are the key properties of 2-ethoxybutanedinitrile?
2-ethoxybutanedinitrile has a molecular weight of 124.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutanedinitrile is sourced from PubChem (CID 21253561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).