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Chemical ID: 5098189
Chemical ID:
5098189
Name [?]:
2-(1-pyrrolidin-1-ylcyclohexyl)acetonitrile
SMILES [?]:
C1CCC(CC1)(CC#N)N2CCCC2
InChi [?]:
InChI=1/C12H20N2/c13-9-8-12(6-2-1-3-7-12)14-10-4-5-11-14/h1-8,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,7,8,11,14,4,9,10/E:(2,3)(4,5)(6,7)(10,11)/rA:14nCCCCCCCCNNCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;t8;s4;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28755 |
Area: | 347.835 |
Solvation: | -1.40832 |
Coulombic: | -8.09569 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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