Chemical ID: 6531886

CC12CCC(C1(C)CC#N)CC2=O
Chemical ID:
6531886
Name [?]:
2-(1,7-dimethyl-2-oxo-norbornan-7-yl)acetonitrile
SMILES [?]:
CC12CCC(C1(C)CC#N)CC2=O
InChi [?]:
InChI=1/C11H15NO/c1-10(5-6-12)8-3-4-11(10,2)9(13)7-8/h8H,3-5,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:7,1,4,3,8,9,11,5,12,6,2,10,13/rA:13cCCCCCCCCCNCCO/rB:s1;s2;s3;s4;s2s5;s6;s6;s8;t9;s5;s2s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:6.1574
Area:337.383
Solvation:-2.27716
Coulombic:-9.61147
Bond Count [?]
All:14
Single:12
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.243
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.14
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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