Products for Research Use Only

N-Boc-nortropinone

CAT: 0572-TRC-B658750-1GSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B658750-1GSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
185099-67-6
Hazard Statement
No Data Available
Smiles
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(=O)C2
Molecular Formula
C12 H19 N O3
Molecular Weight
225.28
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3/t8-,9+
Additionnal Information
IUPAC name: tert-butyl (1S,5R)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

tert-Butyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylate
CAS Number185099-67-6
PubChem CID2794767
IUPAC Nametert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Molecular FormulaC12H19NO3
Molecular Weight225.28
XLogP1.2
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity303
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3
InChIKey
MENILFUADYEXNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylate
CAS: 185099-67-6
CID: 2794767
Formula: C12H19NO3
MW: 225.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight225.28
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass225.13649347
Monoisotopic Mass225.13649347
Topological Polar Surface Area46.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes