Chemical ID: 4301334

CC1=C(C2C(C1=NO)C2(C)C)C#N
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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