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Chemical ID: 5758331
Chemical ID:
5758331
Name [?]:
N-(1,1-dimethylprop-2-ynyl)-2-methoxy-acetamide
SMILES [?]:
CC(C)(C#C)NC(=O)COC
InChi [?]:
InChI=1/C8H13NO2/c1-5-8(2,3)9-7(10)6-11-4/h1H,6H2,2-4H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:5,1,3,11,4,9,7,2,6,8,10/E:(2,3)/rA:11nCCCCCNCOCOC/rB:s1;s2;s2;t4;s2;s6;d7;s7;s9;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.64849 |
Area: | 338.221 |
Solvation: | -3.80703 |
Coulombic: | -30.4435 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 155.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.1 |
LogP (Chemaxon): | -0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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