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Chemical ID: 4301334
Chemical ID:
4301334
Name [?]:
4-hydroxyimino-3,6,6-trimethyl-bicyclo[3.1.0]hex-2-ene-2-carbonitrile
SMILES [?]:
CC1=C(C2C(C1=NO)C2(C)C)C#N
InChi [?]:
InChI=1/C10H12N2O/c1-5-6(4-11)7-8(9(5)12-13)10(7,2)3/h7-8,13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,11,12,2,3,4,5,6,9,13,7,8/E:(2,3)/rA:13cCCCCCCNOCCCCN/rB:s1;d2;s3;s4;s2s5;w6;s7;s4s5;s9;s9;s3;t12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.02049 |
Area: | 351.533 |
Solvation: | -1.76784 |
Coulombic: | -15.8874 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 176.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.9 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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