Monomers

N-Tert-butylacrylamide

Identifiers

IUPAC name
N-tert-butylprop-2-enamide
InchI
InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InchI Key
XFHJDMUEHUHAJW-UHFFFAOYSA-N
SMILES
C=CC(=O)NC(C)(C)C
Canonical SMILES
CC(C)(C)NC(=O)C=C
Isomeric SMILES
CC(C)(C)NC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NO
Heavy Atom Count
9
Molecular Weight
127.187
Exact Molecular Weight
127.0997
Valence Electrons
52
Radical Electrons
0
tPSA
29.1
MolLogP
1.0871
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.7387   -0.2806   -0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7525    0.1153    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888   -0.1132   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393   -0.6817   -1.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229    0.3065    0.4819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0581    0.1447    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8834    0.7294    1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3381   -1.3646    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971    0.6887   -1.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7535   -0.1009   -0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5334   -0.7882   -1.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754    0.6075    1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    0.7840    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -0.0634    2.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007    1.5100    1.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7962    1.2411    0.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -1.7582   -0.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9071   -1.8280    1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386   -1.5343    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1887    1.7238   -1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022   -0.0293   -1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172    0.6917   -1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers