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Chemical ID: 5774378
Chemical ID:
5774378
Name [?]:
2-(3,3,7-trimethyl-8-oxo-2-azaspiro[4.5]deca-6,9-dien-1-ylidene)acetamide
SMILES [?]:
CC1=CC2(CC(NC2=CC(=O)N)(C)C)C=CC1=O
InChi [?]:
InChI=1/C14H18N2O2/c1-9-7-14(5-4-10(9)17)8-13(2,3)16-11(14)6-12(15)18/h4-7,16H,8H2,1-3H3,(H2,15,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,16,15,9,3,5,2,17,8,10,6,4,12,7,18,11/E:(2,3)/rA:18cCCCCCCNCCCONCCCCCO/rB:s1;d2;s3;s4;s5;s6;s4s7;w8;s9;d10;s10;s6;s6;s4;d15;s2s16;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.59742 |
Area: | 411.046 |
Solvation: | -2.67872 |
Coulombic: | -45.8145 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 246.305 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.94 |
LogP (Chemaxon): | -0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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