Chemical ID: 6656077

CC1C(=O)N(C(C(=O)N1)CO)C
Chemical ID:
6656077
Name [?]:
6-(hydroxymethyl)-1,3-dimethyl-piperazine-2,5-dione
SMILES [?]:
CC1C(=O)N(C(C(=O)N1)CO)C
InChi [?]:
InChI=1/C7H12N2O3/c1-4-7(12)9(2)5(3-10)6(11)8-4/h4-5,10H,3H2,1-2H3,(H,8,11)
InChi Info:
AuxInfo=1/1/N:1,12,10,2,6,7,3,9,5,11,8,4/rA:12cCCCONCCONCOC/rB:s1;s2;d3;s3;s5;s6;d7;s2s7;s6;s10;s5;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12N2O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:3.96437
Area:316.921
Solvation:-3.95866
Coulombic:-53.3869
Bond Count [?]
All:12
Single:10
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:172.182
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-1.59
LogP (Chemaxon):-1.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue