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Chemical ID: 6129613
Chemical ID:
6129613
Name [?]:
ethyl 2-(4-formyl-2,6-dioxo-piperazin-1-yl)acetate
SMILES [?]:
CCOC(=O)CN1C(=O)CN(CC1=O)C=O
InChi [?]:
InChI=1/C9H12N2O5/c1-2-16-9(15)5-11-7(13)3-10(6-12)4-8(11)14/h6H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,12,6,15,8,13,4,11,7,16,9,14,5,3/E:(3,4)(7,8)(13,14)/rA:16nCCOCOCNCOCNCCOCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s7s12;d13;s11;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O5 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.91286 |
Area: | 401.97 |
Solvation: | -5.13639 |
Coulombic: | -56.7913 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.202 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | -1.61 |
LogP (Chemaxon): | -2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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