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Chemical ID: 6566642
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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