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Chemical ID: 7277654
Chemical ID:
7277654
Name [?]:
1-[2-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)-2-oxo-ethyl]pyrrolidine-2,5-dione
SMILES [?]:
c1cc2c(cc1C(=O)CN3C(=O)CCC3=O)OCCO2
InChi [?]:
InChI=1/C14H13NO5/c16-10(8-15-13(17)3-4-14(15)18)9-1-2-11-12(7-9)20-6-5-19-11/h1-2,7H,3-6,8H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,19,18,5,9,6,7,3,4,11,15,10,8,12,16,20,17/E:(3,4)(13,14)(17,18)/rA:20nCCCCCCCOCNCOCCCOOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s10s14;d15;s4;s17;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO5 |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.34749 |
Area: | 447.395 |
Solvation: | -5.83738 |
Coulombic: | -45.2963 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.257 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.12 |
LogP (Chemaxon): | -0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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