2-ethyl-2-methyl-3-oxobutanenitrile

C7H11NO — CID 65393177

IUPAC2-ethyl-2-methyl-3-oxobutanenitrile
SMILESCCC(C)(C#N)C(C)=O
InChIInChI=1S/C7H11NO/c1-4-7(3,5-8)6(2)9/h4H2,1-3H3
InChIKeyJUONEHAJHOQOCG-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.52
Rot. Bonds2

About 2-ethyl-2-methyl-3-oxobutanenitrile

2-ethyl-2-methyl-3-oxobutanenitrile (PubChem CID 65393177) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-oxobutanenitrile.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-oxobutanenitrile
PubChem CID65393177
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-ethyl-2-methyl-3-oxobutanenitrile
SMILESCCC(C)(C#N)C(C)=O
InChIInChI=1S/C7H11NO/c1-4-7(3,5-8)6(2)9/h4H2,1-3H3
InChIKeyJUONEHAJHOQOCG-UHFFFAOYSA-N
XLogP1.52
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-oxobutanenitrile?
The IUPAC name of 2-ethyl-2-methyl-3-oxobutanenitrile (CID 65393177) is 2-ethyl-2-methyl-3-oxobutanenitrile.
What is the SMILES notation for 2-ethyl-2-methyl-3-oxobutanenitrile?
The canonical SMILES for 2-ethyl-2-methyl-3-oxobutanenitrile is CCC(C)(C#N)C(C)=O.
What is the InChIKey of 2-ethyl-2-methyl-3-oxobutanenitrile?
The InChIKey is JUONEHAJHOQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-7(3,5-8)6(2)9/h4H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-oxobutanenitrile?
2-ethyl-2-methyl-3-oxobutanenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-oxobutanenitrile is sourced from PubChem (CID 65393177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).