Chemical ID: 4701080

CCC(=O)NC=C1C(=O)OC(OC1=O)(C)C
Chemical ID:
4701080
Name [?]:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]propanamide
SMILES [?]:
CCC(=O)NC=C1C(=O)OC(OC1=O)(C)C
InChi [?]:
InChI=1/C10H13NO5/c1-4-7(12)11-5-6-8(13)15-10(2,3)16-9(6)14/h5H,4H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,15,16,2,6,7,3,8,13,11,5,4,9,14,10,12/E:(2,3)(8,9)(13,14)(15,16)/rA:16nCCCONCCCOOCOCOCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;s10;s11;s7s12;d13;s11;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO5
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.98014
Area:407.794
Solvation:-3.21471
Coulombic:-56.675
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:227.214
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.77
LogP (Chemaxon):0.29

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