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Chemical ID: 6699634
Chemical ID:
6699634
Name [?]:
N-(3-acetyl-2-methyl-1H-imidazol-5-yl)acetamide
SMILES [?]:
Cc1[nH+]c(cn1C(=O)C)NC(=O)C
InChi [?]:
InChI=1/C8H11N3O2/c1-5-9-8(10-6(2)12)4-11(5)7(3)13/h4H,1-3H3,(H,10,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,13,9,5,2,11,7,4,3,10,6,12,8/rA:13nCCN+CCNCOCNCOC/rB:s1;d2;s3;d4;s2s5;s6;d7;s7;s4;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N3O2+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.7474 |
Area: | 346.27 |
Solvation: | -33.4042 |
Coulombic: | -25.301 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.22 |
LogP (Chemaxon): | -0.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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