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4-Azahomoadamantan-5-one

CAT: 0926-FA65744-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0926-FA65744-01Size:200 mg
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CAS Number
22607-75-6
Synonyms
4-Azatricyclo[4.3.1.1 (3,8) ]undecan-5-one
MDL Number
MFCD00154765
Smiles
C1C2CC3CC1CC (C2) NC3=O
Molecular Formula
C10H15NO
Molecular Weight
165.23 g/mol
Controlled
No

Chemical Information

4-Azatricyclo[4.3.1.13,8]undecan-5-one
CAS Number22607-75-6
PubChem CID286647
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-5-one
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP1.4
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity212
SMILES
C1C2CC3CC1CC(C2)NC3=O
InChI
InChI=1S/C10H15NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-9H,1-5H2,(H,11,12)
InChIKey
OKDJIRNQPPBDKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Azatricyclo[4.3.1.13,8]undecan-5-one
CAS: 22607-75-6
CID: 286647
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity212
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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