4-cyclohexylbut-2-enamide

C10H17NO — CID 123964828

IUPAC4-cyclohexylbut-2-enamide
SMILESNC(=O)C=CCC1CCCCC1
InChIInChI=1S/C10H17NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H2,11,12)
InChIKeyZKWOAFKDMUDTEG-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds3

About 4-cyclohexylbut-2-enamide

4-cyclohexylbut-2-enamide (PubChem CID 123964828) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-cyclohexylbut-2-enamide.

Molecular Properties

Compound Name4-cyclohexylbut-2-enamide
PubChem CID123964828
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-cyclohexylbut-2-enamide
SMILESNC(=O)C=CCC1CCCCC1
InChIInChI=1S/C10H17NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H2,11,12)
InChIKeyZKWOAFKDMUDTEG-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-cyclohexyl-N-methylbut-2-enamide
CID 162387728
2-cyclodecylacetamide
CID 150110792
[(E)-3-cyclohexylprop-1-enyl]boronic acid
CID 6031959
3-cyclohexylprop-2-enamide
CID 54292987
4-cyclohexylbut-2-en-1-amine;hydrochloride
CID 67913983
carbonic acid;cyclohexylmethanamine
CID 67545146
(E)-3-[(1R,2R)-2-[(E)-3-amino-3-oxoprop-1-enyl]cyclohexyl]prop-2-enamide
CID 102590140
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
3-amino-4-cyclohexylbutan-2-one
CID 20668322
cyclohexyl (E)-4-amino-4-oxobut-2-enoate
CID 132966691
4-(4-cyclododecylbut-2-enoxy)but-2-enylcyclododecane
CID 70544081
(E)-6-cycloheptyl-2-propan-2-ylhex-4-enoic acid
CID 19868255

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbut-2-enamide?
The IUPAC name of 4-cyclohexylbut-2-enamide (CID 123964828) is 4-cyclohexylbut-2-enamide.
What is the SMILES notation for 4-cyclohexylbut-2-enamide?
The canonical SMILES for 4-cyclohexylbut-2-enamide is NC(=O)C=CCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbut-2-enamide?
The InChIKey is ZKWOAFKDMUDTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H2,11,12).
What are the key properties of 4-cyclohexylbut-2-enamide?
4-cyclohexylbut-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbut-2-enamide is sourced from PubChem (CID 123964828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).