Chemical ID: 6566642

CCOC(=O)C=C1CCC=C1N2CCOCC2
Chemical ID:
6566642
Name [?]:
ethyl 2-(2-morpholino-1-cyclopent-2-enylidene)acetate
SMILES [?]:
CCOC(=O)C=C1CCC=C1N2CCOCC2
InChi [?]:
InChI=1/C13H19NO3/c1-2-17-13(15)10-11-4-3-5-12(11)14-6-8-16-9-7-14/h5,10H,2-4,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,13,17,14,16,6,7,11,4,12,5,15,3/E:(6,7)(8,9)/rA:17nCCOCOCCCCCCNCCOCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;s9;s7d10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.76298
Area:430.541
Solvation:-3.00054
Coulombic:-33.8067
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.27
LogP (Chemaxon):0.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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