Chemical ID: 6313457

CC1CNC(=CC(=O)CC(C)C)C(=O)N1
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

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