ChemDB: Chemical Search
Download
Chemical ID: 4299260
Chemical ID:
4299260
Name [?]:
N-(o-tolyl)-5-oxo-pyrrolidine-2-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)C2CCC(=O)N2
InChi [?]:
InChI=1/C12H14N2O2/c1-8-4-2-3-5-9(8)14-12(16)10-6-7-11(15)13-10/h2-5,10H,6-7H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,12,13,2,7,11,14,9,16,8,15,10/rA:16cCCCCCCCNCOCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s11s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.45327 |
Area: | 398.199 |
Solvation: | -3.5017 |
Coulombic: | -40.0752 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.45 |
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 |
---|