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N-Cyclohexyl-4-pentenamide

CAT: 0572-TRC-C984560-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C984560-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58839-90-0
Synonyms
N-Cyclohexyl-4-pentenamide (ACI)
Hazard Statement
No Data Available
Smiles
C=CCCC(NC1CCCCC1)=O
Molecular Formula
C11H19NO
Molecular Weight
181.27
InChI
InChI=1S/C11H19NO/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h2,10H,1,3-9H2,(H,12,13)
Additionnal Information
IUPAC name: N-cyclohexylpent-4-enamide
Shipping Conditions
Room Temperature

Chemical Information

N-cyclohexyl-4-pentenamide
CAS Number58839-90-0
PubChem CID16103986
IUPAC NameN-cyclohexylpent-4-enamide
Molecular FormulaC11H19NO
Molecular Weight181.27
XLogP2.4
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity171
SMILES
C=CCCC(=O)NC1CCCCC1
InChI
InChI=1S/C11H19NO/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h2,10H,1,3-9H2,(H,12,13)
InChIKey
LCWBJCLKBNFIEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cyclohexyl-4-pentenamide
CAS: 58839-90-0
CID: 16103986
Formula: C11H19NO
MW: 181.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.27
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass181.146664230
Monoisotopic Mass181.146664230
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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458558-01N-Cyclohexyl-4-pentenamide
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sc-301317N-Cyclohexyl 4-chlorobenzamide
sc-295688AN-Cyclohexyl 4-boronobenzenesulfonamide
458544-01N-Cyclohexyl 4-bromobenzenesulfonamide
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