ChemDB: Chemical Search
Download
Chemical ID: 6393413
Chemical ID:
6393413
Name [?]:
2-phenyl-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCCC2
InChi [?]:
InChI=1/C12H15NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,7,4,8,10,9/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02297 |
Area: | 370.861 |
Solvation: | -2.24855 |
Coulombic: | -16.7048 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.89 |
LogP (Chemaxon): | 1.63 |
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 |
---|