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Compound FL0091

CAT: 0013-GTR19269707-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269707-01Size:1 mg
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Description
Compound FL0091, with CAS No. 1399663-06-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0091 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1399663-06-9
Purity
98.05% (May vary between batches)
Smiles
Nc1ccc2NC (=O) C3 (CC3) c2c1
Molecular Formula
C10H10N2O
Molecular Weight
174.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5'-Amino-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-2'-one
CAS Number1399663-06-9
PubChem CID83852960
IUPAC Name5-aminospiro[1H-indole-3,1'-cyclopropane]-2-one
Molecular FormulaC10H10N2O
Molecular Weight174.20
XLogP0.4
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity260
SMILES
C1CC12C3=C(C=CC(=C3)N)NC2=O
InChI
InChI=1S/C10H10N2O/c11-6-1-2-8-7(5-6)10(3-4-10)9(13)12-8/h1-2,5H,3-4,11H2,(H,12,13)
InChIKey
SHUGGYASTBFHKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Amino-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-2'-one
CAS: 1399663-06-9
CID: 83852960
Formula: C10H10N2O
MW: 174.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass174.079312947
Monoisotopic Mass174.079312947
Topological Polar Surface Area55.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity260
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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