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2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile

2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile

CAS: 1401031-38-6

Formula: C16H20N2O

SMILES: N#CC[C@]1(CCOC2(CCCC2)C1)C1=CC=CC=N1

IUPAC: 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile

InChI: InChI=1S/C16H20N2O/c17-10-8-15(14-5-1-4-11-18-14)9-12-19-16(13-15)6-2-3-7-16/h1,4-5,11H,2-3,6-9,12-13H2/t15-/m1/s1

Composition: C (74.97%), H (7.86%), N (10.93%), O (6.24%)

Molar Mass: 256.349

Atom Count: 39

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 256.157563272
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AJVYDBCIZBRGAK-OAHLLOKOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.29
Topological Polar Surface Area 45.91
Polarizability 28.76
Ring Count 3
Rotatable Bond Count 2

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