Chemical ID: 6699634

Cc1[nH+]c(cn1C(=O)C)NC(=O)C
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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