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Piperlotine A

CAT: 0013-GTR19183210-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183210-01Size:1 mg
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Description
Piperlotine A
CAS Number
389572-70-7
Product Name Alternative
Mycobacterium tuberculosis, PAFR, Piperlotine A
Field of Research
Infectious Disease & Virology
Purity
98.66% (May vary between batches)
Smiles
C (/C=C/C1=CC=C (OC) C=C1) (=O) N2CCCC2
Molecular Formula
C14H17NO2
Molecular Weight
231.29
Storage Conditions
Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Piperlotine A

Piperlotine A has been reported in Piper lolot and Piper sarmentosum with data available.

CAS Number389572-70-7
PubChem CID773630
IUPAC Name(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Molecular FormulaC14H17NO2
Molecular Weight231.29
XLogP2.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity274
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)N2CCCC2
InChI
InChI=1S/C14H17NO2/c1-17-13-7-4-12(5-8-13)6-9-14(16)15-10-2-3-11-15/h4-9H,2-3,10-11H2,1H3/b9-6+
InChIKey
JYEDISZKFNNREA-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of Piperlotine A
CAS: 389572-70-7
CID: 773630
Formula: C14H17NO2
MW: 231.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.29
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass231.125928785
Monoisotopic Mass231.125928785
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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