2-ethoxypropanenitrile

C5H9NO — CID 12729368

IUPAC2-ethoxypropanenitrile
SMILESCCOC(C)C#N
InChIInChI=1S/C5H9NO/c1-3-7-5(2)4-6/h5H,3H2,1-2H3
InChIKeySNJNVEVAILOJBB-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.93
Rot. Bonds2

About 2-ethoxypropanenitrile

2-ethoxypropanenitrile (PubChem CID 12729368) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-ethoxypropanenitrile.

Molecular Properties

Compound Name2-ethoxypropanenitrile
PubChem CID12729368
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-ethoxypropanenitrile
SMILESCCOC(C)C#N
InChIInChI=1S/C5H9NO/c1-3-7-5(2)4-6/h5H,3H2,1-2H3
InChIKeySNJNVEVAILOJBB-UHFFFAOYSA-N
XLogP0.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropanenitrile?
The IUPAC name of 2-ethoxypropanenitrile (CID 12729368) is 2-ethoxypropanenitrile.
What is the SMILES notation for 2-ethoxypropanenitrile?
The canonical SMILES for 2-ethoxypropanenitrile is CCOC(C)C#N.
What is the InChIKey of 2-ethoxypropanenitrile?
The InChIKey is SNJNVEVAILOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-7-5(2)4-6/h5H,3H2,1-2H3.
What are the key properties of 2-ethoxypropanenitrile?
2-ethoxypropanenitrile has a molecular weight of 99.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropanenitrile is sourced from PubChem (CID 12729368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).