2-cyano-2-ethylbutanamide

C7H12N2O — CID 29227

IUPAC2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-7(4-2,5-8)6(9)10/h3-4H2,1-2H3,(H2,9,10)
InChIKeyBYVLOVMMSJVLMC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.80
Rot. Bonds3

About 2-cyano-2-ethylbutanamide

2-cyano-2-ethylbutanamide (PubChem CID 29227) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-cyano-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-2-ethylbutanamide
PubChem CID29227
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-7(4-2,5-8)6(9)10/h3-4H2,1-2H3,(H2,9,10)
InChIKeyBYVLOVMMSJVLMC-UHFFFAOYSA-N
XLogP0.80
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethylbutanamide?
The IUPAC name of 2-cyano-2-ethylbutanamide (CID 29227) is 2-cyano-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-2-ethylbutanamide?
The canonical SMILES for 2-cyano-2-ethylbutanamide is CCC(C#N)(CC)C(N)=O.
What is the InChIKey of 2-cyano-2-ethylbutanamide?
The InChIKey is BYVLOVMMSJVLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-7(4-2,5-8)6(9)10/h3-4H2,1-2H3,(H2,9,10).
What are the key properties of 2-cyano-2-ethylbutanamide?
2-cyano-2-ethylbutanamide has a molecular weight of 140.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethylbutanamide is sourced from PubChem (CID 29227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).