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
1.4408 -0.2669 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0582 1.0064 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3421 1.0329 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3229 -0.1647 1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2810 -1.0881 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7514 -0.8679 -0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1561 0.4087 -0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4274 -0.6151 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6348 1.8874 -0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7211 1.9293 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3535 -0.4173 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3483 -0.0071 2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4416 -2.0832 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0812 -1.6411 -1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9037 0.8867 -1.4342 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