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Chemical ID: 5866907
Chemical ID:
5866907
Name [?]:
N-quinuclidin-3-ylpropanamide
SMILES [?]:
CCC(=O)NC1CN2CCC1CC2
InChi [?]:
InChI=1/C10H18N2O/c1-2-10(13)11-9-7-12-5-3-8(9)4-6-12/h8-9H,2-7H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,10,12,9,13,7,11,6,3,5,8,4/E:(3,4)(5,6)/rA:13cCCCONCCNCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;s11;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.77128 |
Area: | 346.596 |
Solvation: | -1.89363 |
Coulombic: | -24.8931 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.38 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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