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2D Structure
Also known as: 93778-71-3, 1-(bicyclo(2.2.1)hept-5-en-2-yl)-3-piperidinopropan-1-one, Einecs 298-206-0, Schembl3900059, Dtxsid70917999, 1-(bicyclo[2.2.1]hept-5-en-2-yl)-3-piperidino-1-propanone
Molecular Formula
C15H23NO
Molecular Weight
233.35  g/mol
InChI Key
KRQADKCTBWUTRW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one
2.1.2 InChI
InChI=1S/C15H23NO/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12/h4-5,12-14H,1-3,6-11H2
2.1.3 InChI Key
KRQADKCTBWUTRW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CCC(=O)C2CC3CC2C=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 93778-71-3

2. 1-(bicyclo(2.2.1)hept-5-en-2-yl)-3-piperidinopropan-1-one

3. Einecs 298-206-0

4. Schembl3900059

5. Dtxsid70917999

6. 1-(bicyclo[2.2.1]hept-5-en-2-yl)-3-piperidino-1-propanone

7. 1-(bicyclo[2.2.1]hept-5-en-2-yl)-3-(piperidin-1-yl)propan-1-one

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 233.35 g/mol
Molecular Formula C15H23NO
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass233.177964357 g/mol
Monoisotopic Mass233.177964357 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1