Chemical ID: 6388669

CC1CC(CN(C1)C(=O)CC#N)C
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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