Chemical ID: 4665537

CCCC(CC(=O)OCC)N1CCCC1
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

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Descriptor Annotations

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