Chemical ID: 4602360

CC(=O)OC1(CN2CCC1CC2)C#N
Chemical ID:
4602360
Name [?]:
(3-cyanoquinuclidin-3-yl) acetate
SMILES [?]:
CC(=O)OC1(CN2CCC1CC2)C#N
InChi [?]:
InChI=1/C10H14N2O2/c1-8(13)14-10(6-11)7-12-4-2-9(10)3-5-12/h9H,2-5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,11,8,12,13,6,2,10,5,14,7,3,4/E:(2,3)(4,5)/rA:14cCCOOCCNCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s7s11;s5;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.55483
Area:346.767
Solvation:-2.11434
Coulombic:-26.8815
Bond Count [?]
All:15
Single:13
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.23
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.09
LogP (Chemaxon):0.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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