ChemDB: Chemical Search
Download
Chemical ID: 4688099
Chemical ID:
4688099
Name [?]:
2-dimethylamino-2-(1-methylpyrrol-2-yl)-acetonitrile
SMILES [?]:
Cn1cccc1C(C#N)N(C)C
InChi [?]:
InChI=1/C9H13N3/c1-11(2)9(7-10)8-5-4-6-12(8)3/h4-6,9H,1-3H3
InChi Info:
AuxInfo=1/0/N:11,12,1,4,5,3,8,6,7,9,10,2/E:(1,2)/rA:12cCNCCCCCCNNCC/rB:s1;s2;d3;s4;s2d5;s6;s7;t8;s7;s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.59805 |
Area: | 327.373 |
Solvation: | -1.58628 |
Coulombic: | -14.943 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.22 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.24 |
LogP (Chemaxon): | 1.03 |
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 |
---|