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Chemical ID: 6388669
Chemical ID:
6388669
Name [?]:
3-(3,5-dimethyl-1-piperidyl)-3-oxo-propanenitrile
SMILES [?]:
CC1CC(CN(C1)C(=O)CC#N)C
InChi [?]:
InChI=1/C10H16N2O/c1-8-5-9(2)7-12(6-8)10(13)3-4-11/h8-9H,3,5-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,11,3,7,5,2,4,8,12,6,9/E:(1,2)(6,7)(8,9)/rA:13cCCCCCNCCOCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;t11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.36901 |
Area: | 366.237 |
Solvation: | -2.78691 |
Coulombic: | -17.5068 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.247 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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