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38854-09-0

38854-09-0 | 1-[(2S)-2-(3-Pyridinyl)-1-pyrrolidinyl]-1-hexanone

CAS No: 38854-09-0 Catalog No: AG0037XH MDL No:

Product Description

Catalog Number:
AG0037XH
Chemical Name:
1-[(2S)-2-(3-Pyridinyl)-1-pyrrolidinyl]-1-hexanone
CAS Number:
38854-09-0
Molecular Formula:
C15H22N2O
Molecular Weight:
246.3480
IUPAC Name:
1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]hexan-1-one
InChI:
InChI=1S/C15H22N2O/c1-2-3-4-9-15(18)17-11-6-8-14(17)13-7-5-10-16-12-13/h5,7,10,12,14H,2-4,6,8-9,11H2,1H3/t14-/m0/s1
InChI Key:
NKXYWVGCISTJDE-AWEZNQCLSA-N
SMILES:
CCCCCC(=O)N1CCC[C@H]1c1cccnc1
UNII:
MFF3DH71K5

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
246.173g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.354g/mol
Monoisotopic Mass:
246.173g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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