Chemical ID: 6129613

CCOC(=O)CN1C(=O)CN(CC1=O)C=O
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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