Chemical ID: 4922830

CC1=CCC2(CCC1C2=O)C#N
Chemical ID:
4922830
Name [?]:
4-methyl-8-oxo-bicyclo[3.2.1]oct-3-ene-1-carbonitrile
SMILES [?]:
CC1=CCC2(CCC1C2=O)C#N
InChi [?]:
InChI=1/C10H11NO/c1-7-2-4-10(6-11)5-3-8(7)9(10)12/h2,8H,3-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,2,8,9,5,12,10/rA:12cCCCCCCCCCOCN/rB:s1;d2;s3;s4;s5;s6;s2s7;s5s8;d9;s5;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:5.70071
Area:319.895
Solvation:-2.29667
Coulombic:-10.5693
Bond Count [?]
All:13
Single:10
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.2
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.51
LogP (Chemaxon):2.28

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Descriptor Annotations

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