ChemDB: Chemical Search
Download
Chemical ID: 6919550
Chemical ID:
6919550
Name [?]:
(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 2-methylbut-2-enoate
SMILES [?]:
CC=C(C)C(=O)OC1CC2CCC(C1)N2C
InChi [?]:
InChI=1/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,16,2,11,12,9,14,3,10,13,8,5,15,6,7/E:(5,6)(7,8)(10,11)/rA:16cCCCCCOOCCCCCCCNC/rB:s1;w2;s3;s3;d5;s5;s7;s8;s9;s10;s11;s12;s8s13;s10s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO2 |
All Atoms: | 37 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.65606 |
Area: | 408.585 |
Solvation: | -1.55856 |
Coulombic: | -25.4124 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.18 |
LogP (Chemaxon): | 1.69 |
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 |
---|