Chemical ID: 4587616

CCOC(=O)c1ccc(cc1)N2CCCC2
Chemical ID:
4587616
Name [?]:
ethyl 4-pyrrolidin-1-ylbenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)N2CCCC2
InChi [?]:
InChI=1/C13H17NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14/h5-8H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,7,11,8,10,13,16,6,9,4,12,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCCOCOCCCCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.44877
Area:412.558
Solvation:-1.86519
Coulombic:-26.9628
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.1
LogP (Chemaxon):2.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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