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Chemical ID: 4834703
Chemical ID:
4834703
Name [?]:
2-(2-pyridyl)cyclopentan-1-one oxime
SMILES [?]:
c1ccnc(c1)C2CCCC2=NO
InChi [?]:
InChI=1/C10H12N2O/c13-12-10-6-3-4-8(10)9-5-1-2-7-11-9/h1-2,5,7-8,13H,3-4,6H2
InChi Info:
AuxInfo=1/0/N:1,2,9,8,6,10,3,7,5,11,4,12,13/rA:13cCCCNCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7s10;w11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.05297 |
Area: | 336.881 |
Solvation: | -2.36906 |
Coulombic: | -17.1037 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.92 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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