2-ethoxybutanenitrile

C6H11NO — CID 13099193

IUPAC2-ethoxybutanenitrile
SMILESCCOC(C#N)CC
InChIInChI=1S/C6H11NO/c1-3-6(5-7)8-4-2/h6H,3-4H2,1-2H3
InChIKeyGHMJXRLUKUMGSQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.33
Rot. Bonds3

About 2-ethoxybutanenitrile

2-ethoxybutanenitrile (PubChem CID 13099193) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-ethoxybutanenitrile.

Molecular Properties

Compound Name2-ethoxybutanenitrile
PubChem CID13099193
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-ethoxybutanenitrile
SMILESCCOC(C#N)CC
InChIInChI=1S/C6H11NO/c1-3-6(5-7)8-4-2/h6H,3-4H2,1-2H3
InChIKeyGHMJXRLUKUMGSQ-UHFFFAOYSA-N
XLogP1.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutanenitrile?
The IUPAC name of 2-ethoxybutanenitrile (CID 13099193) is 2-ethoxybutanenitrile.
What is the SMILES notation for 2-ethoxybutanenitrile?
The canonical SMILES for 2-ethoxybutanenitrile is CCOC(C#N)CC.
What is the InChIKey of 2-ethoxybutanenitrile?
The InChIKey is GHMJXRLUKUMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(5-7)8-4-2/h6H,3-4H2,1-2H3.
What are the key properties of 2-ethoxybutanenitrile?
2-ethoxybutanenitrile has a molecular weight of 113.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutanenitrile is sourced from PubChem (CID 13099193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).