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
1.1751 0.9085 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0278 1.4741 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.3753 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1994 -0.5778 -1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9605 -0.5779 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 -0.9566 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9931 -0.3754 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1441 1.3486 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2370 2.5283 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 0.6397 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6611 -1.5483 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0766 -0.0536 -2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -1.1623 -0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5662 -1.5861 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7982 -0.4365 1.7476 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