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
-1.2806 -1.8499 -0.5344 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7160 -0.7284 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1741 -0.4875 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 -1.5038 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7168 0.8225 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7936 0.3087 0.0939 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6069 0.2398 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3236 1.3927 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6990 1.4415 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4208 0.3373 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7572 -0.8095 -0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3682 -0.8466 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8401 0.4002 -0.0588 N 0 0 0 0 0 4 0 0 0 0 0 0
5.5451 -0.5778 -0.3727 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4945 1.5662 0.2677 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.5851 -2.4669 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0579 -1.4230 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1568 1.2473 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7559 0.6334 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7868 1.5500 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2759 1.2253 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7758 2.2612 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2230 2.3544 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3162 -1.7053 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8934 -1.7787 -0.5819 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