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Chemical ID: 5030009
Chemical ID:
5030009
Name [?]:
butyl 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILES [?]:
CCCCOC(=O)CN1C(=O)CCC1=O
InChi [?]:
InChI=1/C10H15NO4/c1-2-3-6-15-10(14)7-11-8(12)4-5-9(11)13/h2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,12,13,4,8,10,14,6,9,11,15,7,5/E:(4,5)(8,9)(12,13)/rA:15nCCCCOCOCNCOCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.44676 |
Area: | 407.966 |
Solvation: | -3.75239 |
Coulombic: | -40.9498 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.23 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.23 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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