Chemical ID: 6660139

C1CC(C(=O)C(C1)CCC#N)CCC#N
Chemical ID:
6660139
Name [?]:
3-[3-(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile
SMILES [?]:
C1CC(C(=O)C(C1)CCC#N)CCC#N
InChi [?]:
InChI=1/C12H16N2O/c13-8-2-6-10-4-1-5-11(12(10)15)7-3-9-14/h10-11H,1-7H2
InChi Info:
AuxInfo=1/0/N:1,9,13,7,2,8,12,10,14,6,3,4,11,15,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:15cCCCCOCCCCCNCCCN/rB:s1;s2;s3;d4;s4;s1s6;s6;s8;s9;t10;s3;s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.29104
Area:410.133
Solvation:-2.96229
Coulombic:-11.6664
Bond Count [?]
All:15
Single:12
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.68
LogP (Chemaxon):2.45

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Descriptor Annotations

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