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
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
3.6854 -0.8010 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6353 -0.7811 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3591 -0.2804 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2151 0.1402 1.3908 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2226 -0.2584 -0.6366 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0368 0.2229 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4915 -0.6278 0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 1.6553 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0430 0.1174 -1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6672 -0.4619 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 -1.1735 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7095 -1.1310 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3117 -0.6029 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 -0.5957 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 -0.1990 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1473 -1.6624 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 2.2288 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0868 1.7288 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1012 2.1937 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0366 -0.2356 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2181 1.1140 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7371 -0.5906 -2.0937 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