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Chemical ID: 4701080
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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