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Chemical ID: 6934145
Chemical ID:
6934145
Name [?]:
2-ethyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)-hexan-1-one
SMILES [?]:
CCCCC(CC)C(=O)N1CCN=C1C
InChi [?]:
InChI=1/C12H22N2O/c1-4-6-7-11(5-2)12(15)14-9-8-13-10(14)3/h11H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,15,2,6,3,4,12,11,14,5,8,13,10,9/rA:15cCCCCCCCCONCCNCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s10d13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O |
All Atoms: | 37 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.07341 |
Area: | 414.973 |
Solvation: | -2.30092 |
Coulombic: | -20.9258 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 210.316 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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