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
    3.7433   -1.0270   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018   -0.1420   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.4284   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0957   -1.5777    0.3691 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721    0.5286   -0.3357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0209    0.2964   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7934    1.5417   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654   -0.8171   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -0.0060    1.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -0.8213   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613   -1.9902    0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073    0.8392   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801    1.4422   -0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444    2.2833    0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    1.9415   -1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8680    1.2329   -0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4889   -0.4756   -2.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600   -1.7691   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -0.9023   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825   -0.6225    1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425   -0.4632    1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350    0.9367    1.8634 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