ChemDB: Chemical Search
Download
Chemical ID: 6360692
Chemical ID:
6360692
Name [?]:
N,N-diallyl-3-nitrido-propanamide
SMILES [?]:
C=CCN(CC=C)C(=O)CC#N
InChi [?]:
InChI=1/C9H12N2O/c1-3-7-11(8-4-2)9(12)5-6-10/h3-4H,1-2,5,7-8H2
InChi Info:
AuxInfo=1/0/N:1,7,2,6,10,11,3,5,8,12,4,9/E:(1,2)(3,4)(7,8)/rA:12nCCCNCCCCOCCN/rB:d1;s2;s3;s4;s5;d6;s4;d8;s8;s10;t11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08868 |
Area: | 360.005 |
Solvation: | -2.91144 |
Coulombic: | -19.8961 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.97 |
LogP (Chemaxon): | 1.14 |
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 |
---|