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Chemical ID: 4665537
Chemical ID:
4665537
Name [?]:
ethyl 3-pyrrolidin-1-ylhexanoate
SMILES [?]:
CCCC(CC(=O)OCC)N1CCCC1
InChi [?]:
InChI=1/C12H23NO2/c1-3-7-11(10-12(14)15-4-2)13-8-5-6-9-13/h11H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,9,13,14,3,12,15,5,4,6,11,7,8/E:(5,6)(8,9)/rA:15cCCCCCCOOCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s4;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76972 |
Area: | 405.71 |
Solvation: | -2.37302 |
Coulombic: | -22.7954 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.24 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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