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Cyclopent-3-enecarboxamide

CAT: 0024-sc-300399Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-300399Size:500 mg
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CAS Number
50494-42-3

Chemical Information

Cyclopent-3-ene-1-carboxamide
CAS Number50494-42-3
PubChem CID26369821
IUPAC Namecyclopent-3-ene-1-carboxamide
Molecular FormulaC6H9NO
Molecular Weight111.14
XLogP0.3
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity120
SMILES
C1C=CCC1C(=O)N
InChI
InChI=1S/C6H9NO/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2,(H2,7,8)
InChIKey
XVPVECZALBQBJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopent-3-ene-1-carboxamide
CAS: 50494-42-3
CID: 26369821
Formula: C6H9NO
MW: 111.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight111.14
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass111.068413911
Monoisotopic Mass111.068413911
Topological Polar Surface Area43.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity120
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