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3-Azabicyclo (3.1.0) hexan-2-one

CAT: 0926-JGA91100-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-JGA91100-01Size:50 mg
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CAS Number
159911-00-9
MDL Number
MFCD13176285
Smiles
O=C1NCC2CC12
Molecular Formula
C5H7NO
Molecular Weight
97.12 g/mol
Controlled
No

Chemical Information

3-Azabicyclo[3.1.0]hexan-2-one
CAS Number159911-00-9
PubChem CID14843146
IUPAC Name3-azabicyclo[3.1.0]hexan-2-one
Molecular FormulaC5H7NO
Molecular Weight97.12
XLogP-0.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity121
SMILES
C1C2C1C(=O)NC2
InChI
InChI=1S/C5H7NO/c7-5-4-1-3(4)2-6-5/h3-4H,1-2H2,(H,6,7)
InChIKey
KHLMVJUFZYQPEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Azabicyclo[3.1.0]hexan-2-one
CAS: 159911-00-9
CID: 14843146
Formula: C5H7NO
MW: 97.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight97.12
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass97.052763847
Monoisotopic Mass97.052763847
Topological Polar Surface Area29.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity121
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

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Alternative Products

CatalogName
OR1069499-013-Azabicyclo[3.1.0]hexan-2-one
TRC-P320810-100MG1-Phenyl-3-azabicyclo[3.1.0]hexan-2-one
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OR85897-01(3-Azabicyclo[3.1.0]hexan-6-yl) methanol
OR3504243-Benzyl-3-azabicyclo[3.1.0]hexan-6-amine
OR87820Tert-Butyl 3-azabicyclo[3.1.0]hexan-1-ylcarbamate
OR70212-01Bicyclo[3.1.0]hexan-2-one
TRC-A965833-100MGexo-3-Azabicyclo[3.1.0]hexan-6-ol hydrochloride
TRC-M220051-750MG3-(Methylsulfonyl)-3-azabicyclo[3.1.0]hexan-6-amine-hydrochloride

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