Chemical ID: 3966587

CCC1(CC(=O)NC1=O)C
Chemical ID:
3966587
Name [?]:
3-ethyl-3-methyl-pyrrolidine-2,5-dione
SMILES [?]:
CCC1(CC(=O)NC1=O)C
InChi [?]:
InChI=1/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,10,2,4,5,8,3,7,6,9/rA:10cCCCCCONCOC/rB:s1;s2;s3;s4;d5;s5;s3s7;d8;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:4.90025
Area:288.777
Solvation:-2.31916
Coulombic:-27.6694
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:141.168
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.09
LogP (Chemaxon):0.55

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