Monomers
2,5-Norbornadiene
Identifiers
IUPAC name
bicyclo[2.2.1]hepta-2,5-diene
InchI
InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InchI Key
SJYNFBVQFBRSIB-UHFFFAOYSA-N
SMILES
C1=CC2CC1C=C2
Canonical SMILES
C1C2C=CC1C=C2
Isomeric SMILES
C1C2C=CC1C=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8
Heavy Atom Count
7
Molecular Weight
92.141
Exact Molecular Weight
92.0626
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
2
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
1.3532 -0.6232 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2753 0.7206 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1533 1.1075 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6971 0.0296 -1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0540 -1.0996 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6170 -0.7463 1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7345 0.5892 1.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2226 -1.2403 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1316 1.3780 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3953 2.1020 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7811 -0.0237 -1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2340 0.1098 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2404 -2.0751 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9083 -1.3834 1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1677 1.1551 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
5 1 1 0
7 3 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers