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Chemical ID: 5866154
Chemical ID:
5866154
Name [?]:
N-quinuclidin-3-ylacetamide
SMILES [?]:
CC(=O)NC1CN2CCC1CC2
InChi [?]:
InChI=1/C9H16N2O/c1-7(12)10-9-6-11-4-2-8(9)3-5-11/h8-9H,2-6H2,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,9,11,8,12,6,2,10,5,4,7,3/E:(2,3)(4,5)/rA:12cCCONCCNCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.09197 |
Area: | 322.706 |
Solvation: | -1.97567 |
Coulombic: | -24.2385 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 168.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.13 |
LogP (Chemaxon): | -0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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