Chemical ID: 5251016

C1C(CC(=O)NC1=O)CC=O
Chemical ID:
5251016
Name [?]:
2-(2,6-dioxo-4-piperidyl)acetaldehyde
SMILES [?]:
C1C(CC(=O)NC1=O)CC=O
InChi [?]:
InChI=1/C7H9NO3/c9-2-1-5-3-6(10)8-7(11)4-5/h2,5H,1,3-4H2,(H,8,10,11)
InChi Info:
AuxInfo=1/1/N:9,10,1,3,2,7,4,6,11,8,5/E:(3,4)(6,7)(10,11)/rA:11nCCCCONCOCCO/rB:s1;s2;s3;d4;s4;s1s6;d7;s2;s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9NO3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.24451
Area:312.978
Solvation:-4.57994
Coulombic:-31.2688
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:155.151
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.78
LogP (Chemaxon):-1.6

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