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Chemical ID: 6313457
Chemical ID:
6313457
Name [?]:
6-methyl-3-(4-methyl-2-oxo-pentylidene)-piperazin-2-one
SMILES [?]:
CC1CNC(=CC(=O)CC(C)C)C(=O)N1
InChi [?]:
InChI=1/C11H18N2O2/c1-7(2)4-9(14)5-10-11(15)13-8(3)6-12-10/h5,7-8,12H,4,6H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:11,12,1,9,6,3,10,2,7,5,13,4,15,8,14/E:(1,2)/rA:15cCCCNCCCOCCCCCON/rB:s1;s2;s3;s4;w5;s6;d7;s7;s9;s10;s10;s5;d13;s2s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.52509 |
Area: | 397.322 |
Solvation: | -2.40797 |
Coulombic: | -41.546 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 210.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 0.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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