Monomers
2-Methyl-N-(4-nitrophenyl)prop-2-enamide
Identifiers
IUPAC name
2-methyl-N-(4-nitrophenyl)prop-2-enamide
InchI
InChI=1S/C10H10N2O3/c1-7(2)10(13)11-8-3-5-9(6-4-8)12(14)15/h3-6H,1H2,2H3,(H,11,13)
InchI Key
DPNRVEROTZRVQP-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10N2O3
Heavy Atom Count
15
Molecular Weight
206.201
Exact Molecular Weight
206.0691
Valence Electrons
78
Radical Electrons
0
tPSA
72.24
MolLogP
2.1094
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
25 25 0 0 0 0 0 0 0 0999 V2000
-1.4156 -0.6468 1.4396 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7297 -0.2674 0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1253 -0.2195 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5240 0.1565 -1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1575 -0.6309 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7131 0.0932 -0.6245 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 0.0949 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2595 -0.5220 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 -0.4279 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4358 0.2454 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8329 0.8589 -1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 0.7867 -1.3198 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8591 0.3112 0.0792 N 0 0 0 0 0 4 0 0 0 0 0 0
5.5866 0.9036 -0.7046 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4141 -0.3102 1.1572 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.6031 0.1692 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9010 0.4625 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1055 0.0962 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9895 -1.6784 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1766 -0.5760 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 0.4019 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7054 -1.0779 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1283 -0.9127 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4375 1.3992 -1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0217 1.2904 -2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
10 13 1 0
13 14 2 0
13 15 1 0
12 7 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
5 20 1 0
6 21 1 0
8 22 1 0
9 23 1 0
11 24 1 0
12 25 1 0
M CHG 2 13 1 15 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers