2-cyano-N-cyclohexylacetamide

C9H14N2O — CID 706143

IUPAC2-cyano-N-cyclohexylacetamide
SMILESN#CCC(=O)NC1CCCCC1
InChIInChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)
InChIKeyRURWLUVLDBYUEN-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.35
Rot. Bonds2

About 2-cyano-N-cyclohexylacetamide

2-cyano-N-cyclohexylacetamide (PubChem CID 706143) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyano-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexylacetamide
PubChem CID706143
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-cyano-N-cyclohexylacetamide
SMILESN#CCC(=O)NC1CCCCC1
InChIInChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)
InChIKeyRURWLUVLDBYUEN-UHFFFAOYSA-N
XLogP1.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexylacetamide?
The IUPAC name of 2-cyano-N-cyclohexylacetamide (CID 706143) is 2-cyano-N-cyclohexylacetamide.
What is the SMILES notation for 2-cyano-N-cyclohexylacetamide?
The canonical SMILES for 2-cyano-N-cyclohexylacetamide is N#CCC(=O)NC1CCCCC1.
What is the InChIKey of 2-cyano-N-cyclohexylacetamide?
The InChIKey is RURWLUVLDBYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12).
What are the key properties of 2-cyano-N-cyclohexylacetamide?
2-cyano-N-cyclohexylacetamide has a molecular weight of 166.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexylacetamide is sourced from PubChem (CID 706143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).