ChemDB: Chemical Search
Download
Chemical ID: 6641649
Chemical ID:
6641649
Name [?]:
1-butyl-3-methyl-imidazolidine-2,4,5-trione
SMILES [?]:
CCCCN1C(=O)C(=O)N(C1=O)C
InChi [?]:
InChI=1/C8H12N2O3/c1-3-4-5-10-7(12)6(11)9(2)8(10)13/h3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,4,8,6,11,10,5,9,7,12/rA:13nCCCCNCOCONCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s5s10;d11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00822 |
Area: | 360.696 |
Solvation: | -2.00918 |
Coulombic: | -47.28 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.193 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.2 |
LogP (Chemaxon): | 0.49 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|