Monomers
1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
XAHCEMQKWSQGLQ-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=CC1=O
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO3
Heavy Atom Count
15
Molecular Weight
203.197
Exact Molecular Weight
203.0582
Valence Electrons
76
Radical Electrons
0
tPSA
46.61
MolLogP
1.1246
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
24 25 0 0 0 0 0 0 0 0999 V2000
-4.5675 0.1119 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5451 -0.5076 -0.7474 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1927 -0.3711 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2594 -1.0304 -1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1163 -0.9172 -0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 -0.1356 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 0.5186 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7211 0.4146 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9852 0.0153 0.3236 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9968 -0.9687 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8274 -2.2026 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2626 -0.3293 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0448 0.9771 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6477 1.2670 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0289 2.3647 0.6264 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7375 1.1171 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4983 -0.4946 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3750 0.2544 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 -1.6475 -2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8329 -1.4533 -1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0028 1.1454 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4417 0.9321 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 -0.8220 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 1.7618 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 3 1 0
14 9 1 0
1 16 1 0
1 17 1 0
1 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
12 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers