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
0.9733 1.0814 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4407 -0.0953 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3045 -1.0681 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1891 -0.5392 1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3608 0.8857 0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2789 0.5555 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7992 -0.5911 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4633 2.0393 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 -0.3039 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5606 -2.0895 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6352 -0.6050 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -0.9835 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 1.5960 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1112 1.1566 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2078 -1.0388 -1.9809 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