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RT-NH2

CAT: 0931-T19055-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T19055-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2321343-06-8
Target
Others
Related Pathways
Others
Bioactivity
RT-NH2 is fairly hydrophobic and cannot distribute in the nucleus. It is a RealThiol prototype without the carboxylic acid groups.
Smiles
NC(=O)C(=C\c1cc2ccc(cc2oc1=O)N1CCC1)\C#N
Molecular Formula
C16H13N3O3
Molecular Weight
295.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E)-3-[7-(Azetidin-1-yl)-2-oxochromen-3-yl]-2-cyanoprop-2-enamide
CAS Number2321343-06-8
PubChem CID131953035
IUPAC Name(E)-3-[7-(azetidin-1-yl)-2-oxochromen-3-yl]-2-cyanoprop-2-enamide
Molecular FormulaC16H13N3O3
Molecular Weight295.29
XLogP1.4
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity609
SMILES
C1CN(C1)C2=CC3=C(C=C2)C=C(C(=O)O3)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C16H13N3O3/c17-9-12(15(18)20)7-11-6-10-2-3-13(19-4-1-5-19)8-14(10)22-16(11)21/h2-3,6-8H,1,4-5H2,(H2,18,20)/b12-7+
InChIKey
ACUFSVRPYXSWCJ-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-[7-(Azetidin-1-yl)-2-oxochromen-3-yl]-2-cyanoprop-2-enamide
CAS: 2321343-06-8
CID: 131953035
Formula: C16H13N3O3
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass295.09569129
Monoisotopic Mass295.09569129
Topological Polar Surface Area96.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity609
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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