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
-1.2594 -1.7849 -0.1006 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6828 -0.6212 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1366 -0.4159 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7054 0.7409 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0648 -1.5971 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7396 0.4195 0.2585 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6628 0.3210 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3979 -0.8164 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 -0.7781 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 0.4124 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7414 1.5922 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3792 1.5221 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8543 0.4684 -0.2188 N 0 0 0 0 0 4 0 0 0 0 0 0
5.4439 1.5498 -0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5495 -0.7130 -0.3150 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.7861 0.8386 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0871 1.6196 0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3203 -1.9757 1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6445 -2.3715 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0308 -1.2793 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1374 1.3806 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9016 -1.7894 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2922 -1.7314 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2772 2.5172 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8597 2.4916 0.1918 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