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
    3.8097    0.2647    0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    0.5938    0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215    0.0804    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5548   -0.6962   -0.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371    0.4465    0.5603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431   -0.0469   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1268   -1.5724   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    0.3964   -1.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2848    0.4600    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8961   -0.3981   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6940    0.6435    0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4973    1.2564    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570    1.0911    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -1.8137   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438   -2.0523   -0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753   -1.9105    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984    0.6189   -1.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.4032   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742    1.3372   -1.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475    0.0810    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493    0.0542    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    1.5692    0.6846 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