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
    3.8286    0.3062    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430    0.4229    0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351    0.1234   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659   -0.2650   -1.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    0.2630    0.6128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0665   -0.0106   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2237    0.2259    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -1.5195   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455    0.6876   -1.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    0.5257    0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.0209   -0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.7528    1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412    0.5856    1.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2421   -0.5724    1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    1.1780    1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2020    0.2082    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0960   -1.9322   -0.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610   -2.0445    0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190   -1.6229   -1.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541    0.3641   -2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567    1.8073   -1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179    0.5373   -1.5447 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