4-cyclohexylbutanoyl cyanide

C11H17NO — CID 15712809

IUPAC4-cyclohexylbutanoyl cyanide
SMILESN#CC(=O)CCCC1CCCCC1
InChIInChI=1S/C11H17NO/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h10H,1-8H2
InChIKeyJEQMWNLHWCAEES-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.83
Rot. Bonds4

About 4-cyclohexylbutanoyl cyanide

4-cyclohexylbutanoyl cyanide (PubChem CID 15712809) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-cyclohexylbutanoyl cyanide.

Molecular Properties

Compound Name4-cyclohexylbutanoyl cyanide
PubChem CID15712809
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-cyclohexylbutanoyl cyanide
SMILESN#CC(=O)CCCC1CCCCC1
InChIInChI=1S/C11H17NO/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h10H,1-8H2
InChIKeyJEQMWNLHWCAEES-UHFFFAOYSA-N
XLogP2.83
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
4-cyclohexylbutanoate;lead(2+)
CID 21118991
bis(4-cyclohexylbutanoate);iron(2+)
CID 22104083
5-cyclopentylpentan-2-one
CID 18433881
4-cyclohexylbutanoate;hydron;mercury(2+)
CID 21118992
4-cyclohexylbutanoate;hydron;manganese(2+)
CID 21119793
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
4-cyclohexylbutanoate;oxalic acid
CID 91198160
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
7-cyclohexylheptanoic acid
CID 71560336

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutanoyl cyanide?
The IUPAC name of 4-cyclohexylbutanoyl cyanide (CID 15712809) is 4-cyclohexylbutanoyl cyanide.
What is the SMILES notation for 4-cyclohexylbutanoyl cyanide?
The canonical SMILES for 4-cyclohexylbutanoyl cyanide is N#CC(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutanoyl cyanide?
The InChIKey is JEQMWNLHWCAEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h10H,1-8H2.
What are the key properties of 4-cyclohexylbutanoyl cyanide?
4-cyclohexylbutanoyl cyanide has a molecular weight of 179.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutanoyl cyanide is sourced from PubChem (CID 15712809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).