Monomers
N-Benzylmaleimide
Identifiers
IUPAC name
1-benzylpyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InchI Key
MKRBAPNEJMFMHU-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
Isomeric SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.1116
H Bond Acceptors
2
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
23 24 0 0 0 0 0 0 0 0999 V2000
-1.9852 -1.1240 -2.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2201 -0.5471 -0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3806 0.3260 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3231 0.7676 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1139 0.2028 1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7064 0.3875 2.4016 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4338 -0.6114 0.2756 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2017 -1.3538 0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9866 -0.5397 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4874 -0.5404 -1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5939 0.2229 -1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1773 0.9763 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6721 0.9775 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5738 0.2158 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1526 0.5601 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0164 1.4224 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 -2.2127 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1359 -1.6320 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0359 -1.1314 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0115 0.2394 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0462 1.6001 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1246 1.5675 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1889 0.2266 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
7 2 1 0
14 9 1 0
3 15 1 0
4 16 1 0
8 17 1 0
8 18 1 0
10 19 1 0
11 20 1 0
12 21 1 0
13 22 1 0
14 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers