Chemical ID: 6157334

Cc1ccc(cc1)CC(=O)NCC#N
Chemical ID:
6157334
Name [?]:
N-(cyanomethyl)-2-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CC(=O)NCC#N
InChi [?]:
InChI=1/C11H12N2O/c1-9-2-4-10(5-3-9)8-11(14)13-7-6-12/h2-5H,7-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,13,12,8,2,5,9,14,11,10/E:(2,3)(4,5)/rA:14nCCCCCCCCCONCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.0972
Area:390.653
Solvation:-2.66912
Coulombic:-23.5871
Bond Count [?]
All:14
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:188.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.17
LogP (Chemaxon):1.41

Name Annotations

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Descriptor Annotations

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