Chemical ID: 4691170

CC(=O)N1CN(C=C1)C(=O)C
Chemical ID:
4691170
Name [?]:
1-(3-acetyl-2H-imidazol-1-yl)ethanone
SMILES [?]:
CC(=O)N1CN(C=C1)C(=O)C
InChi [?]:
InChI=1/C7H10N2O2/c1-6(10)8-3-4-9(5-8)7(2)11/h3-4H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,8,7,5,2,9,4,6,3,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:11nCCONCNCCCOC/rB:s1;d2;s2;s4;s5;s6;s4d7;s6;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.63195
Area:316.37
Solvation:-3.27731
Coulombic:-27.4068
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.167
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.3
LogP (Chemaxon):-0.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue